# =================================================================================================================================================================
#
# This is a library of molecularly optimised basis functions as described in the paper:
#
# Gaussian basis sets for accurate calculations on molecular systems
# in gas and condensed phases
#
# Joost VandeVondele and Juerg Hutter
# J. Chem. Phys. 127, 114105 (2007)
#
# URL: http://link.aip.org/link/?JCP/127/114105
# DOI: 10.1063/1.2770708
#
# In this work, we have shown that accurate basis sets (e.g. small BSSE, close to the basis set limit)
# but well conditioned (and thus suitable for a wide variety of chemical environments, i.e. gas and condensed phases)
# can be derived by optimising highly contracted family basis sets, including diffuse exponents, on molecular systems.
# Typically, these basis sets outperform split valence basis sets of similar size. For small gas-phase systems (including QMMM)
# or large systems (thousands of atoms) their cost is moderate, whereas the diffuse nature of the basis set increases the computational
# for medium size condensed phase systems. 
#
# This file contains the molecularly optimised basis sets for the elements H , C , N , O , F , Si , P , S , Cl
# as discussed in the paper (SZV-MOLOPT-GTH, DZVP-MOLOPT-GTH, TZVP-MOLOPT-GTH, TZV2P-MOLOPT-GTH, TZV2PX-MOLOPT-GTH).
#
# Usage hint : 'NGRIDS 5' (section &MGRID) will deal more efficiently (2x speedup) with the diffuse nature of the basis.
#
# In addition to the basis sets discussed in the paper above, we have generated with the same procedure
# variants of these basis sets using two less and thus less diffuse primitives.
# These are the  SZV-MOLOPT-SR-GTH and DZVP-MOLOPT-SR-GTH (Shorter Range) basis sets for H , C , N , O , F , Si , P , S , Cl.
# These basis sets reduce the cost for medium size condensed phase systems, while most properties are only slighly affected.
# Most affected is BSSE, which increases to 0.32, 0.16, 0.31, 0.24 from 0.23, 0.11, 0.41, 0.20 kcal/mol (DZVP-MOLOPT-SR-GTH vs. DZVP-MOLOPT-GTH),
# while for a box with 64 molecules timings are 25 and 111 s respectively.
#
#
# The 'FULL-MOLOPT-GTH' basis sets are only suitable and meaningful for reference calculations.
#
# =================================================================================================================================================================
#
# Basis set format:
#
# Element symbol  Name of the basis set  Alias names
# nset (repeat the following block of lines nset times)
# n lmin lmax nexp nshell(lmin) nshell(lmin+1) ... nshell(lmax-1) nshell(lmax)
# a(1)      c(1,l,1)      c(1,l,2) ...      c(1,l,nshell(l)-1)      c(1,l,nshell(l)), l=lmin,lmax
# a(2)      c(2,l,1)      c(2,l,2) ...      c(2,l,nshell(l)-1)      c(2,l,nshell(l)), l=lmin,lmax
#  .         .             .                 .                       .
#  .         .             .                 .                       .
#  .         .             .                 .                       .
# a(nexp-1) c(nexp-1,l,1) c(nexp-1,l,2) ... c(nexp-1,l,nshell(l)-1) c(nexp-1,l,nshell(l)), l=lmin,lmax
# a(nexp)   c(nexp,l,1)   c(nexp,l,2)   ... c(nexp,l,nshell(l)-1)   c(nexp,l,nshell(l)), l=lmin,lmax
#
#
# nset     : Number of exponent sets
# n        : Principle quantum number (only for orbital label printing)
# lmax     : Maximum angular momentum quantum number l
# lmin     : Minimum angular momentum quantum number l
# nshell(l): Number of shells for angular momentum quantum number l
# a        : Exponent
# c        : Contraction coefficient
#
 H  SZV-MOLOPT-GTH
 1
 2 0 0 7 1
     11.478000339908  0.024916243200
      3.700758562763  0.079825490000
      1.446884268432  0.128862675300
      0.716814589696  0.379448894600
      0.247918564176  0.324552432600
      0.066918004004  0.037148121400
      0.021708243634 -0.001125195500
 H  DZVP-MOLOPT-GTH
 1
 2 0 1 7 2 1
     11.478000339908  0.024916243200 -0.012512421400  0.024510918200
      3.700758562763  0.079825490000 -0.056449071100  0.058140794100
      1.446884268432  0.128862675300  0.011242684700  0.444709498500
      0.716814589696  0.379448894600 -0.418587548300  0.646207973100
      0.247918564176  0.324552432600  0.590363216700  0.803385018200
      0.066918004004  0.037148121400  0.438703133000  0.892971208700
      0.021708243634 -0.001125195500 -0.059693171300  0.120101316500
 H  TZVP-MOLOPT-GTH
 1
 2 0 1 7 3 1
     11.478000339908  0.024916243200 -0.012512421400 -0.013929731000  0.024510918200
      3.700758562763  0.079825490000 -0.056449071100  0.003035027400  0.058140794100
      1.446884268432  0.128862675300  0.011242684700 -0.295875900100  0.444709498500
      0.716814589696  0.379448894600 -0.418587548300  0.688608603400  0.646207973100
      0.247918564176  0.324552432600  0.590363216700 -0.228296404800  0.803385018200
      0.066918004004  0.037148121400  0.438703133000 -0.099863944100  0.892971208700
      0.021708243634 -0.001125195500 -0.059693171300  0.035435150600  0.120101316500
 H  TZV2P-MOLOPT-GTH
 1
 2 0 1 7 3 2
     11.478000339908  0.024916243200 -0.012512421400 -0.013929731000  0.024510918200 -0.016497254600
      3.700758562763  0.079825490000 -0.056449071100  0.003035027400  0.058140794100 -0.023524900100
      1.446884268432  0.128862675300  0.011242684700 -0.295875900100  0.444709498500 -0.484890807700
      0.716814589696  0.379448894600 -0.418587548300  0.688608603400  0.646207973100  0.581651597400
      0.247918564176  0.324552432600  0.590363216700 -0.228296404800  0.803385018200 -0.302708265200
      0.066918004004  0.037148121400  0.438703133000 -0.099863944100  0.892971208700  0.037586403600
      0.021708243634 -0.001125195500 -0.059693171300  0.035435150600  0.120101316500  0.177876988600
 H  TZV2PX-MOLOPT-GTH
 1
 2 0 2 7 3 2 1
     11.478000339908  0.024916243200 -0.012512421400 -0.013929731000  0.024510918200 -0.016497254600  0.013783151600
      3.700758562763  0.079825490000 -0.056449071100  0.003035027400  0.058140794100 -0.023524900100  0.095244888900
      1.446884268432  0.128862675300  0.011242684700 -0.295875900100  0.444709498500 -0.484890807700  1.000410191300
      0.716814589696  0.379448894600 -0.418587548300  0.688608603400  0.646207973100  0.581651597400  0.169848598800
      0.247918564176  0.324552432600  0.590363216700 -0.228296404800  0.803385018200 -0.302708265200  0.073559299500
      0.066918004004  0.037148121400  0.438703133000 -0.099863944100  0.892971208700  0.037586403600  0.782848013900
      0.021708243634 -0.001125195500 -0.059693171300  0.035435150600  0.120101316500  0.177876988600 -0.348307160100
 H  FULL-MOLOPT-GTH
 7
 1 0 2 1 1 1 1
     11.478000339908  1.000000000000  1.000000000000  1.000000000000
 1 0 2 1 1 1 1
      3.700758562763  1.000000000000  1.000000000000  1.000000000000
 1 0 2 1 1 1 1
      1.446884268432  1.000000000000  1.000000000000  1.000000000000
 1 0 2 1 1 1 1
      0.716814589696  1.000000000000  1.000000000000  1.000000000000
 1 0 2 1 1 1 1
      0.247918564176  1.000000000000  1.000000000000  1.000000000000
 1 0 2 1 1 1 1
      0.066918004004  1.000000000000  1.000000000000  1.000000000000
 1 0 2 1 1 1 1
      0.021708243634  1.000000000000  1.000000000000  1.000000000000
 C  SZV-MOLOPT-GTH
 1
 2 0 1 7 1 1
      6.132624767898 -0.105576563700  0.035098108400
      2.625196064782 -0.174866621100  0.114197930900
      1.045456957247  0.064464981400  0.215908137300
      0.478316330874  0.830447035300  0.355929151000
      0.178617414302  0.371911373800  0.271541842000
      0.075144725465  0.006174464000  0.056256557700
      0.030286753006  0.008966477300  0.004998059700
 C  DZVP-MOLOPT-GTH
 1
 2 0 2 7 2 2 1
      6.132624767898 -0.105576563700  0.024850587600  0.035098108400 -0.056712999000  0.037469425800
      2.625196064782 -0.174866621100  0.147440856000  0.114197930900 -0.076743951500  0.071047574800
      1.045456957247  0.064464981400 -0.421418379200  0.215908137300 -0.528056757000  0.619330561200
      0.478316330874  0.830447035300  0.823051336800  0.355929151000  0.394594045700  0.710730857000
      0.178617414302  0.371911373800  0.184880712100  0.271541842000  0.721247475800  0.389148235000
      0.075144725465  0.006174464000 -0.742086051600  0.056256557700  0.733902531700  0.346374124100
      0.030286753006  0.008966477300  0.083382192000  0.004998059700  0.248172175500 -0.005142430900
 C  TZVP-MOLOPT-GTH
 1
 2 0 2 7 3 3 1
      6.132624767898 -0.105576563700  0.024850587600 -0.047388414100  0.035098108400 -0.056712999000 -0.006742034000  0.037469425800
      2.625196064782 -0.174866621100  0.147440856000 -0.054003851700  0.114197930900 -0.076743951500 -0.031163909400  0.071047574800
      1.045456957247  0.064464981400 -0.421418379200 -0.056737220700  0.215908137300 -0.528056757000 -0.126324702500  0.619330561200
      0.478316330874  0.830447035300  0.823051336800  0.450960854100  0.355929151000  0.394594045700  0.629779932600  0.710730857000
      0.178617414302  0.371911373800  0.184880712100 -0.611198185900  0.271541842000  0.721247475800 -0.487599713200  0.389148235000
      0.075144725465  0.006174464000 -0.742086051600  0.365424292900  0.056256557700  0.733902531700  0.218697596000  0.346374124100
      0.030286753006  0.008966477300  0.083382192000 -0.079339373900  0.004998059700  0.248172175500 -0.137064380000 -0.005142430900
 C  TZV2P-MOLOPT-GTH
 1
 2 0 2 7 3 3 2
      6.132624767898 -0.105576563700  0.024850587600 -0.047388414100  0.035098108400 -0.056712999000 -0.006742034000  0.037469425800  0.029169209100
      2.625196064782 -0.174866621100  0.147440856000 -0.054003851700  0.114197930900 -0.076743951500 -0.031163909400  0.071047574800  0.026982879200
      1.045456957247  0.064464981400 -0.421418379200 -0.056737220700  0.215908137300 -0.528056757000 -0.126324702500  0.619330561200  0.547209491100
      0.478316330874  0.830447035300  0.823051336800  0.450960854100  0.355929151000  0.394594045700  0.629779932600  0.710730857000 -0.776406436300
      0.178617414302  0.371911373800  0.184880712100 -0.611198185900  0.271541842000  0.721247475800 -0.487599713200  0.389148235000  0.657213953300
      0.075144725465  0.006174464000 -0.742086051600  0.365424292900  0.056256557700  0.733902531700  0.218697596000  0.346374124100 -0.480025949600
      0.030286753006  0.008966477300  0.083382192000 -0.079339373900  0.004998059700  0.248172175500 -0.137064380000 -0.005142430900  0.036022564900
 C  TZV2PX-MOLOPT-GTH
 1
 2 0 3 7 3 3 2 1
      6.132624767898 -0.105576563700  0.024850587600 -0.047388414100  0.035098108400 -0.056712999000 -0.006742034000  0.037469425800  0.029169209100  0.022304679500
      2.625196064782 -0.174866621100  0.147440856000 -0.054003851700  0.114197930900 -0.076743951500 -0.031163909400  0.071047574800  0.026982879200  0.026025873000
      1.045456957247  0.064464981400 -0.421418379200 -0.056737220700  0.215908137300 -0.528056757000 -0.126324702500  0.619330561200  0.547209491100  0.716854675300
      0.478316330874  0.830447035300  0.823051336800  0.450960854100  0.355929151000  0.394594045700  0.629779932600  0.710730857000 -0.776406436300 -0.024992326800
      0.178617414302  0.371911373800  0.184880712100 -0.611198185900  0.271541842000  0.721247475800 -0.487599713200  0.389148235000  0.657213953300  0.633014106300
      0.075144725465  0.006174464000 -0.742086051600  0.365424292900  0.056256557700  0.733902531700  0.218697596000  0.346374124100 -0.480025949600 -0.092802773900
      0.030286753006  0.008966477300  0.083382192000 -0.079339373900  0.004998059700  0.248172175500 -0.137064380000 -0.005142430900  0.036022564900 -0.094955683900
 C  FULL-MOLOPT-GTH
 7
 2 0 3 1 1 1 1 1
      6.132624767898  1.000000000000  1.000000000000  1.000000000000  1.000000000000
 2 0 3 1 1 1 1 1
      2.625196064782  1.000000000000  1.000000000000  1.000000000000  1.000000000000
 2 0 3 1 1 1 1 1
      1.045456957247  1.000000000000  1.000000000000  1.000000000000  1.000000000000
 2 0 3 1 1 1 1 1
      0.478316330874  1.000000000000  1.000000000000  1.000000000000  1.000000000000
 2 0 3 1 1 1 1 1
      0.178617414302  1.000000000000  1.000000000000  1.000000000000  1.000000000000
 2 0 3 1 1 1 1 1
      0.075144725465  1.000000000000  1.000000000000  1.000000000000  1.000000000000
 2 0 3 1 1 1 1 1
      0.030286753006  1.000000000000  1.000000000000  1.000000000000  1.000000000000
 N  SZV-MOLOPT-GTH
 1
 2 0 1 7 1 1
      9.042730397298 -0.057711157700  0.031469526900
      3.882224940673 -0.121876730300  0.109126355100
      1.512880320070  0.094844857800  0.238123330300
      0.586630738140  0.558583487700  0.376105481500
      0.222851091943  0.346456981000  0.249727365300
      0.084582888713  0.031196738600  0.054673928900
      0.039193834928  0.010393976200 -0.000181794900
 N  DZVP-MOLOPT-GTH
 1
 2 0 2 7 2 2 1
      9.042730397298 -0.057711157700  0.055618665600  0.031469526900 -0.012643172000  0.017852718900
      3.882224940673 -0.121876730300  0.101741751800  0.109126355100 -0.031177059000  0.037932409700
      1.512880320070  0.094844857800 -0.036013432800  0.238123330300 -0.094228032000  0.324051472500
      0.586630738140  0.558583487700 -0.547764884700  0.376105481500 -0.192405367500  0.888374055100
      0.222851091943  0.346456981000  0.606791574500  0.249727365300  0.701455729100  0.188935754200
      0.084582888713  0.031196738600  0.493556790200  0.054673928900  0.593951368600 -0.049452863800
      0.039193834928  0.010393976200  0.053452379800 -0.000181794900  0.039720774300 -0.019150455700
 N  TZVP-MOLOPT-GTH
 1
 2 0 2 7 3 3 1
      9.042730397298 -0.057711157700  0.055618665600  0.032762883500  0.031469526900 -0.012643172000 -0.028389787500  0.017852718900
      3.882224940673 -0.121876730300  0.101741751800  0.137929475200  0.109126355100 -0.031177059000  0.039238304500  0.037932409700
      1.512880320070  0.094844857800 -0.036013432800 -0.215975165900  0.238123330300 -0.094228032000 -0.305920303000  0.324051472500
      0.586630738140  0.558583487700 -0.547764884700  0.366111863100  0.376105481500 -0.192405367500  0.543553700700  0.888374055100
      0.222851091943  0.346456981000  0.606791574500  0.307294682700  0.249727365300  0.701455729100  0.145372660300  0.188935754200
      0.084582888713  0.031196738600  0.493556790200 -0.707766106200  0.054673928900  0.593951368600 -0.742817489000 -0.049452863800
      0.039193834928  0.010393976200  0.053452379800  0.185238519800 -0.000181794900  0.039720774300  0.455455763000 -0.019150455700
 N  TZV2P-MOLOPT-GTH
 1
 2 0 2 7 3 3 2
      9.042730397298 -0.057711157700  0.055618665600  0.032762883500  0.031469526900 -0.012643172000 -0.028389787500  0.017852718900 -0.026814870200
      3.882224940673 -0.121876730300  0.101741751800  0.137929475200  0.109126355100 -0.031177059000  0.039238304500  0.037932409700  0.018900829300
      1.512880320070  0.094844857800 -0.036013432800 -0.215975165900  0.238123330300 -0.094228032000 -0.305920303000  0.324051472500 -0.406110228200
      0.586630738140  0.558583487700 -0.547764884700  0.366111863100  0.376105481500 -0.192405367500  0.543553700700  0.888374055100  0.202616067000
      0.222851091943  0.346456981000  0.606791574500  0.307294682700  0.249727365300  0.701455729100  0.145372660300  0.188935754200  0.641914827500
      0.084582888713  0.031196738600  0.493556790200 -0.707766106200  0.054673928900  0.593951368600 -0.742817489000 -0.049452863800 -0.754236178400
      0.039193834928  0.010393976200  0.053452379800  0.185238519800 -0.000181794900  0.039720774300  0.455455763000 -0.019150455700  0.192322748800
 N  TZV2PX-MOLOPT-GTH
 1
 2 0 3 7 3 3 2 1
      9.042730397298 -0.057711157700  0.055618665600  0.032762883500  0.031469526900 -0.012643172000 -0.028389787500  0.017852718900 -0.026814870200  0.020975689500
      3.882224940673 -0.121876730300  0.101741751800  0.137929475200  0.109126355100 -0.031177059000  0.039238304500  0.037932409700  0.018900829300 -0.027501696100
      1.512880320070  0.094844857800 -0.036013432800 -0.215975165900  0.238123330300 -0.094228032000 -0.305920303000  0.324051472500 -0.406110228200  0.569952079600
      0.586630738140  0.558583487700 -0.547764884700  0.366111863100  0.376105481500 -0.192405367500  0.543553700700  0.888374055100  0.202616067000  0.862205093600
      0.222851091943  0.346456981000  0.606791574500  0.307294682700  0.249727365300  0.701455729100  0.145372660300  0.188935754200  0.641914827500 -0.067750230800
      0.084582888713  0.031196738600  0.493556790200 -0.707766106200  0.054673928900  0.593951368600 -0.742817489000 -0.049452863800 -0.754236178400 -0.185330469600
      0.039193834928  0.010393976200  0.053452379800  0.185238519800 -0.000181794900  0.039720774300  0.455455763000 -0.019150455700  0.192322748800  0.013120721900
 N  FULL-MOLOPT-GTH
 7
 2 0 3 1 1 1 1 1
      9.042730397298  1.000000000000  1.000000000000  1.000000000000  1.000000000000
 2 0 3 1 1 1 1 1
      3.882224940673  1.000000000000  1.000000000000  1.000000000000  1.000000000000
 2 0 3 1 1 1 1 1
      1.512880320070  1.000000000000  1.000000000000  1.000000000000  1.000000000000
 2 0 3 1 1 1 1 1
      0.586630738140  1.000000000000  1.000000000000  1.000000000000  1.000000000000
 2 0 3 1 1 1 1 1
      0.222851091943  1.000000000000  1.000000000000  1.000000000000  1.000000000000
 2 0 3 1 1 1 1 1
      0.084582888713  1.000000000000  1.000000000000  1.000000000000  1.000000000000
 2 0 3 1 1 1 1 1
      0.039193834928  1.000000000000  1.000000000000  1.000000000000  1.000000000000
 O  SZV-MOLOPT-GTH
 1
 2 0 1 7 1 1
     12.015954705512 -0.060190841200  0.036543638800
      5.108150287385 -0.129597923300  0.120927648700
      2.048398039874  0.118175889400  0.251093670300
      0.832381575582  0.462964485000  0.352639910300
      0.352316246455  0.450353782600  0.294708645200
      0.142977330880  0.092715833600  0.173039869300
      0.046760918300 -0.000255945800  0.009726110600
 O  DZVP-MOLOPT-GTH
 1
 2 0 2 7 2 2 1
     12.015954705512 -0.060190841200  0.065738617900  0.036543638800 -0.034210557400  0.014807054400
      5.108150287385 -0.129597923300  0.110885902200  0.120927648700 -0.120619770900  0.068186159300
      2.048398039874  0.118175889400 -0.053732406400  0.251093670300 -0.213719464600  0.290576499200
      0.832381575582  0.462964485000 -0.572670666200  0.352639910300 -0.473674858400  1.063344189500
      0.352316246455  0.450353782600  0.186760006700  0.294708645200  0.484848376400  0.307656114200
      0.142977330880  0.092715833600  0.387201458600  0.173039869300  0.717465919700  0.318346834400
      0.046760918300 -0.000255945800  0.003825849600  0.009726110600  0.032498979400 -0.005771736600
 O  TZVP-MOLOPT-GTH
 1
 2 0 2 7 3 3 1
     12.015954705512 -0.060190841200  0.065738617900  0.041006765400  0.036543638800 -0.034210557400 -0.000592640200  0.014807054400
      5.108150287385 -0.129597923300  0.110885902200  0.080644802300  0.120927648700 -0.120619770900  0.009852349400  0.068186159300
      2.048398039874  0.118175889400 -0.053732406400 -0.067639801700  0.251093670300 -0.213719464600  0.001286509800  0.290576499200
      0.832381575582  0.462964485000 -0.572670666200 -0.435078312800  0.352639910300 -0.473674858400 -0.021872639500  1.063344189500
      0.352316246455  0.450353782600  0.186760006700  0.722792798300  0.294708645200  0.484848376400  0.530504764700  0.307656114200
      0.142977330880  0.092715833600  0.387201458600 -0.521378340700  0.173039869300  0.717465919700 -0.436184043700  0.318346834400
      0.046760918300 -0.000255945800  0.003825849600  0.175643142900  0.009726110600  0.032498979400  0.073329259500 -0.005771736600
 O  TZV2P-MOLOPT-GTH
 1
 2 0 2 7 3 3 2
     12.015954705512 -0.060190841200  0.065738617900  0.041006765400  0.036543638800 -0.034210557400 -0.000592640200  0.014807054400 -0.013843410500
      5.108150287385 -0.129597923300  0.110885902200  0.080644802300  0.120927648700 -0.120619770900  0.009852349400  0.068186159300  0.016850210400
      2.048398039874  0.118175889400 -0.053732406400 -0.067639801700  0.251093670300 -0.213719464600  0.001286509800  0.290576499200 -0.186696332600
      0.832381575582  0.462964485000 -0.572670666200 -0.435078312800  0.352639910300 -0.473674858400 -0.021872639500  1.063344189500  0.068001578700
      0.352316246455  0.450353782600  0.186760006700  0.722792798300  0.294708645200  0.484848376400  0.530504764700  0.307656114200  0.911407510000
      0.142977330880  0.092715833600  0.387201458600 -0.521378340700  0.173039869300  0.717465919700 -0.436184043700  0.318346834400 -0.333128530600
      0.046760918300 -0.000255945800  0.003825849600  0.175643142900  0.009726110600  0.032498979400  0.073329259500 -0.005771736600 -0.405788515900
 O  TZV2PX-MOLOPT-GTH
 1
 2 0 3 7 3 3 2 1
     12.015954705512 -0.060190841200  0.065738617900  0.041006765400  0.036543638800 -0.034210557400 -0.000592640200  0.014807054400 -0.013843410500  0.002657486200
      5.108150287385 -0.129597923300  0.110885902200  0.080644802300  0.120927648700 -0.120619770900  0.009852349400  0.068186159300  0.016850210400 -0.007708463700
      2.048398039874  0.118175889400 -0.053732406400 -0.067639801700  0.251093670300 -0.213719464600  0.001286509800  0.290576499200 -0.186696332600  0.378459897700
      0.832381575582  0.462964485000 -0.572670666200 -0.435078312800  0.352639910300 -0.473674858400 -0.021872639500  1.063344189500  0.068001578700  0.819571172100
      0.352316246455  0.450353782600  0.186760006700  0.722792798300  0.294708645200  0.484848376400  0.530504764700  0.307656114200  0.911407510000 -0.075845376400
      0.142977330880  0.092715833600  0.387201458600 -0.521378340700  0.173039869300  0.717465919700 -0.436184043700  0.318346834400 -0.333128530600  0.386329438600
      0.046760918300 -0.000255945800  0.003825849600  0.175643142900  0.009726110600  0.032498979400  0.073329259500 -0.005771736600 -0.405788515900  0.035062554400
 O  FULL-MOLOPT-GTH
 7
 2 0 3 1 1 1 1 1
     12.015954705512  1.000000000000  1.000000000000  1.000000000000  1.000000000000
 2 0 3 1 1 1 1 1
      5.108150287385  1.000000000000  1.000000000000  1.000000000000  1.000000000000
 2 0 3 1 1 1 1 1
      2.048398039874  1.000000000000  1.000000000000  1.000000000000  1.000000000000
 2 0 3 1 1 1 1 1
      0.832381575582  1.000000000000  1.000000000000  1.000000000000  1.000000000000
 2 0 3 1 1 1 1 1
      0.352316246455  1.000000000000  1.000000000000  1.000000000000  1.000000000000
 2 0 3 1 1 1 1 1
      0.142977330880  1.000000000000  1.000000000000  1.000000000000  1.000000000000
 2 0 3 1 1 1 1 1
      0.046760918300  1.000000000000  1.000000000000  1.000000000000  1.000000000000
 F  SZV-MOLOPT-GTH
 1
 2 0 1 7 1 1
     15.025672765127 -0.076135699000  0.043030876500
      6.156800581515 -0.145492650600  0.138591822100
      2.411456205564  0.195144281500  0.283251574300
      0.963986369687  0.553654166300  0.357678749700
      0.396229721431  0.454888028100  0.300622862100
      0.157658905678  0.078338198300  0.138839114100
      0.048130255107  0.002175323600  0.008740274300
 F  DZVP-MOLOPT-GTH
 1
 2 0 2 7 2 2 1
     15.025672765127 -0.076135699000  0.060516471000  0.043030876500 -0.027382614400  0.006095862800
      6.156800581515 -0.145492650600  0.078091919900  0.138591822100 -0.119463647500  0.057880784500
      2.411456205564  0.195144281500 -0.051537351700  0.283251574300 -0.152089668600  0.143657436500
      0.963986369687  0.553654166300 -0.448874166200  0.357678749700 -0.460859710900  0.782158193600
      0.396229721431  0.454888028100  0.143111336600  0.300622862100  0.260540362300  0.349204565600
      0.157658905678  0.078338198300  0.433345205900  0.138839114100  0.410677921300  0.106634189000
      0.048130255107  0.002175323600 -0.111759214900  0.008740274300  0.051656760200 -0.008599668300
 F  TZVP-MOLOPT-GTH
 1
 2 0 2 7 3 3 1
     15.025672765127 -0.076135699000  0.060516471000  0.236249589200  0.043030876500 -0.027382614400 -0.013131365300  0.006095862800
      6.156800581515 -0.145492650600  0.078091919900  0.256975207700  0.138591822100 -0.119463647500 -0.061020955700  0.057880784500
      2.411456205564  0.195144281500 -0.051537351700 -0.299606314200  0.283251574300 -0.152089668600 -0.074530076600  0.143657436500
      0.963986369687  0.553654166300 -0.448874166200  0.244175306400  0.357678749700 -0.460859710900 -0.333331696200  0.782158193600
      0.396229721431  0.454888028100  0.143111336600  0.070307660500  0.300622862100  0.260540362300  0.815277681200  0.349204565600
      0.157658905678  0.078338198300  0.433345205900 -0.391141875700  0.138839114100  0.410677921300 -0.637458747900  0.106634189000
      0.048130255107  0.002175323600 -0.111759214900  0.275973644000  0.008740274300  0.051656760200  0.225784972300 -0.008599668300
 F  TZV2P-MOLOPT-GTH
 1
 2 0 2 7 3 3 2
     15.025672765127 -0.076135699000  0.060516471000  0.236249589200  0.043030876500 -0.027382614400 -0.013131365300  0.006095862800 -0.001964191900
      6.156800581515 -0.145492650600  0.078091919900  0.256975207700  0.138591822100 -0.119463647500 -0.061020955700  0.057880784500 -0.017608747700
      2.411456205564  0.195144281500 -0.051537351700 -0.299606314200  0.283251574300 -0.152089668600 -0.074530076600  0.143657436500 -0.092704702300
      0.963986369687  0.553654166300 -0.448874166200  0.244175306400  0.357678749700 -0.460859710900 -0.333331696200  0.782158193600 -0.415809616200
      0.396229721431  0.454888028100  0.143111336600  0.070307660500  0.300622862100  0.260540362300  0.815277681200  0.349204565600  0.628910907400
      0.157658905678  0.078338198300  0.433345205900 -0.391141875700  0.138839114100  0.410677921300 -0.637458747900  0.106634189000 -0.412356840700
      0.048130255107  0.002175323600 -0.111759214900  0.275973644000  0.008740274300  0.051656760200  0.225784972300 -0.008599668300  0.389252314700
 F  TZV2PX-MOLOPT-GTH
 1
 2 0 3 7 3 3 2 1
     15.025672765127 -0.076135699000  0.060516471000  0.236249589200  0.043030876500 -0.027382614400 -0.013131365300  0.006095862800 -0.001964191900 -0.008318565400
      6.156800581515 -0.145492650600  0.078091919900  0.256975207700  0.138591822100 -0.119463647500 -0.061020955700  0.057880784500 -0.017608747700  0.039096268100
      2.411456205564  0.195144281500 -0.051537351700 -0.299606314200  0.283251574300 -0.152089668600 -0.074530076600  0.143657436500 -0.092704702300  0.354742552600
      0.963986369687  0.553654166300 -0.448874166200  0.244175306400  0.357678749700 -0.460859710900 -0.333331696200  0.782158193600 -0.415809616200  1.307321527200
      0.396229721431  0.454888028100  0.143111336600  0.070307660500  0.300622862100  0.260540362300  0.815277681200  0.349204565600  0.628910907400 -0.018428865800
      0.157658905678  0.078338198300  0.433345205900 -0.391141875700  0.138839114100  0.410677921300 -0.637458747900  0.106634189000 -0.412356840700  0.046645417600
      0.048130255107  0.002175323600 -0.111759214900  0.275973644000  0.008740274300  0.051656760200  0.225784972300 -0.008599668300  0.389252314700  0.001877717700
 F  FULL-MOLOPT-GTH
 7
 2 0 3 1 1 1 1 1
     15.025672765127  1.000000000000  1.000000000000  1.000000000000  1.000000000000
 2 0 3 1 1 1 1 1
      6.156800581515  1.000000000000  1.000000000000  1.000000000000  1.000000000000
 2 0 3 1 1 1 1 1
      2.411456205564  1.000000000000  1.000000000000  1.000000000000  1.000000000000
 2 0 3 1 1 1 1 1
      0.963986369687  1.000000000000  1.000000000000  1.000000000000  1.000000000000
 2 0 3 1 1 1 1 1
      0.396229721431  1.000000000000  1.000000000000  1.000000000000  1.000000000000
 2 0 3 1 1 1 1 1
      0.157658905678  1.000000000000  1.000000000000  1.000000000000  1.000000000000
 2 0 3 1 1 1 1 1
      0.048130255107  1.000000000000  1.000000000000  1.000000000000  1.000000000000
 Si SZV-MOLOPT-GTH
 1
 2 0 1 6 1 1
      2.693604434572  0.015333179500 -0.005800105400
      1.359613855428 -0.283798205000 -0.059172026000
      0.513245176029 -0.228939692700  0.121487149900
      0.326563011394  0.728834000900  0.423382421100
      0.139986977410  0.446205299300  0.474592116300
      0.068212286977  0.122025292800  0.250129397700
 Si DZVP-MOLOPT-GTH
 1
 2 0 2 6 2 2 1
      2.693604434572  0.015333179500 -0.073325401200 -0.005800105400  0.023996406700  0.043919650100
      1.359613855428 -0.283798205000  0.484815594600 -0.059172026000  0.055459199900  0.134639409600
      0.513245176029 -0.228939692700 -0.276015880000  0.121487149900 -0.269559268100  0.517732111300
      0.326563011394  0.728834000900 -0.228394679700  0.423382421100 -0.259506329000  0.282311245100
      0.139986977410  0.446205299300 -0.018311553000  0.474592116300  0.310318217600  0.281350794600
      0.068212286977  0.122025292800  0.365245476200  0.250129397700  0.647414251100  0.139066843800
 Si TZVP-MOLOPT-GTH
 1
 2 0 2 6 3 3 1
      2.693604434572  0.015333179500 -0.073325401200 -0.010190491000 -0.005800105400  0.023996406700  0.014220556800  0.043919650100
      1.359613855428 -0.283798205000  0.484815594600  0.009707564700 -0.059172026000  0.055459199900 -0.158407152000  0.134639409600
      0.513245176029 -0.228939692700 -0.276015880000 -0.707360006800  0.121487149900 -0.269559268100  0.854126223400  0.517732111300
      0.326563011394  0.728834000900 -0.228394679700  0.968240963100  0.423382421100 -0.259506329000 -0.964190479700  0.282311245100
      0.139986977410  0.446205299300 -0.018311553000 -0.449692717700  0.474592116300  0.310318217600  0.336885865500  0.281350794600
      0.068212286977  0.122025292800  0.365245476200  0.147937633300  0.250129397700  0.647414251100 -0.063010752700  0.139066843800
 Si TZV2P-MOLOPT-GTH
 1
 2 0 2 6 3 3 2
      2.693604434572  0.015333179500 -0.073325401200 -0.010190491000 -0.005800105400  0.023996406700  0.014220556800  0.043919650100 -0.021796206700
      1.359613855428 -0.283798205000  0.484815594600  0.009707564700 -0.059172026000  0.055459199900 -0.158407152000  0.134639409600 -0.065666574500
      0.513245176029 -0.228939692700 -0.276015880000 -0.707360006800  0.121487149900 -0.269559268100  0.854126223400  0.517732111300 -0.587881439600
      0.326563011394  0.728834000900 -0.228394679700  0.968240963100  0.423382421100 -0.259506329000 -0.964190479700  0.282311245100  0.799278215300
      0.139986977410  0.446205299300 -0.018311553000 -0.449692717700  0.474592116300  0.310318217600  0.336885865500  0.281350794600 -0.377563218200
      0.068212286977  0.122025292800  0.365245476200  0.147937633300  0.250129397700  0.647414251100 -0.063010752700  0.139066843800  0.406207118300
 Si TZV2PX-MOLOPT-GTH
 1
 2 0 3 6 3 3 2 1
      2.693604434572  0.015333179500 -0.073325401200 -0.010190491000 -0.005800105400  0.023996406700  0.014220556800  0.043919650100 -0.021796206700 -0.021648469800
      1.359613855428 -0.283798205000  0.484815594600  0.009707564700 -0.059172026000  0.055459199900 -0.158407152000  0.134639409600 -0.065666574500  0.421421477600
      0.513245176029 -0.228939692700 -0.276015880000 -0.707360006800  0.121487149900 -0.269559268100  0.854126223400  0.517732111300 -0.587881439600  0.744190736800
      0.326563011394  0.728834000900 -0.228394679700  0.968240963100  0.423382421100 -0.259506329000 -0.964190479700  0.282311245100  0.799278215300  0.434937300000
      0.139986977410  0.446205299300 -0.018311553000 -0.449692717700  0.474592116300  0.310318217600  0.336885865500  0.281350794600 -0.377563218200 -0.722129731000
      0.068212286977  0.122025292800  0.365245476200  0.147937633300  0.250129397700  0.647414251100 -0.063010752700  0.139066843800  0.406207118300  0.655673293700
 Si FULL-MOLOPT-GTH
 6
 2 0 3 1 1 1 1 1
      2.693604434572  1.000000000000  1.000000000000  1.000000000000  1.000000000000
 2 0 3 1 1 1 1 1
      1.359613855428  1.000000000000  1.000000000000  1.000000000000  1.000000000000
 2 0 3 1 1 1 1 1
      0.513245176029  1.000000000000  1.000000000000  1.000000000000  1.000000000000
 2 0 3 1 1 1 1 1
      0.326563011394  1.000000000000  1.000000000000  1.000000000000  1.000000000000
 2 0 3 1 1 1 1 1
      0.139986977410  1.000000000000  1.000000000000  1.000000000000  1.000000000000
 2 0 3 1 1 1 1 1
      0.068212286977  1.000000000000  1.000000000000  1.000000000000  1.000000000000
 P  SZV-MOLOPT-GTH
 1
 2 0 1 6 1 1
      3.338153406523  0.039454247900 -0.012783546700
      1.833919672496 -0.306814659300 -0.038865450000
      0.688531765653 -0.113978610700  0.127534067400
      0.372376701254  0.668025394000  0.401195491100
      0.166131443191  0.491467475700  0.369849381300
      0.075778343330  0.087478573600  0.184268604800
 P  DZVP-MOLOPT-GTH
 1
 2 0 2 6 2 2 1
      3.338153406523  0.039454247900 -0.055902122900 -0.012783546700  0.005165760600  0.023530272900
      1.833919672496 -0.306814659300  0.305933443100 -0.038865450000  0.103133751300  0.140233454000
      0.688531765653 -0.113978610700  0.118785269000  0.127534067400 -0.305520428500  0.507069588900
      0.372376701254  0.668025394000 -0.716389791200  0.401195491100 -0.245673644600  0.492728339400
      0.166131443191  0.491467475700  0.271518859600  0.369849381300  0.153640758600  0.310650223400
      0.075778343330  0.087478573600  0.523136739400  0.184268604800  0.721924297300  0.030421200100
 P  TZVP-MOLOPT-GTH
 1
 2 0 2 6 3 3 1
      3.338153406523  0.039454247900 -0.055902122900 -0.036333320500 -0.012783546700  0.005165760600 -0.021032703500  0.023530272900
      1.833919672496 -0.306814659300  0.305933443100  0.126954601200 -0.038865450000  0.103133751300  0.038242927200  0.140233454000
      0.688531765653 -0.113978610700  0.118785269000  0.100890359400  0.127534067400 -0.305520428500 -0.256363421800  0.507069588900
      0.372376701254  0.668025394000 -0.716389791200  0.407065582600  0.401195491100 -0.245673644600  0.548550924800  0.492728339400
      0.166131443191  0.491467475700  0.271518859600 -0.989778437000  0.369849381300  0.153640758600  0.178359136800  0.310650223400
      0.075778343330  0.087478573600  0.523136739400  0.538151443400  0.184268604800  0.721924297300 -0.226343952000  0.030421200100
 P  TZV2P-MOLOPT-GTH
 1
 2 0 2 6 3 3 2
      3.338153406523  0.039454247900 -0.055902122900 -0.036333320500 -0.012783546700  0.005165760600 -0.021032703500  0.023530272900 -0.026902801200
      1.833919672496 -0.306814659300  0.305933443100  0.126954601200 -0.038865450000  0.103133751300  0.038242927200  0.140233454000 -0.024419850900
      0.688531765653 -0.113978610700  0.118785269000  0.100890359400  0.127534067400 -0.305520428500 -0.256363421800  0.507069588900 -0.592608257200
      0.372376701254  0.668025394000 -0.716389791200  0.407065582600  0.401195491100 -0.245673644600  0.548550924800  0.492728339400  0.982063898700
      0.166131443191  0.491467475700  0.271518859600 -0.989778437000  0.369849381300  0.153640758600  0.178359136800  0.310650223400  0.131647772600
      0.075778343330  0.087478573600  0.523136739400  0.538151443400  0.184268604800  0.721924297300 -0.226343952000  0.030421200100  0.264354685800
 P  TZV2PX-MOLOPT-GTH
 1
 2 0 3 6 3 3 2 1
      3.338153406523  0.039454247900 -0.055902122900 -0.036333320500 -0.012783546700  0.005165760600 -0.021032703500  0.023530272900 -0.026902801200  0.005311181800
      1.833919672496 -0.306814659300  0.305933443100  0.126954601200 -0.038865450000  0.103133751300  0.038242927200  0.140233454000 -0.024419850900  0.138144780500
      0.688531765653 -0.113978610700  0.118785269000  0.100890359400  0.127534067400 -0.305520428500 -0.256363421800  0.507069588900 -0.592608257200  0.874057452500
      0.372376701254  0.668025394000 -0.716389791200  0.407065582600  0.401195491100 -0.245673644600  0.548550924800  0.492728339400  0.982063898700  0.436475627300
      0.166131443191  0.491467475700  0.271518859600 -0.989778437000  0.369849381300  0.153640758600  0.178359136800  0.310650223400  0.131647772600 -0.092923616900
      0.075778343330  0.087478573600  0.523136739400  0.538151443400  0.184268604800  0.721924297300 -0.226343952000  0.030421200100  0.264354685800  0.017694303700
 P  FULL-MOLOPT-GTH
 6
 2 0 3 1 1 1 1 1
      3.338153406523  1.000000000000  1.000000000000  1.000000000000  1.000000000000
 2 0 3 1 1 1 1 1
      1.833919672496  1.000000000000  1.000000000000  1.000000000000  1.000000000000
 2 0 3 1 1 1 1 1
      0.688531765653  1.000000000000  1.000000000000  1.000000000000  1.000000000000
 2 0 3 1 1 1 1 1
      0.372376701254  1.000000000000  1.000000000000  1.000000000000  1.000000000000
 2 0 3 1 1 1 1 1
      0.166131443191  1.000000000000  1.000000000000  1.000000000000  1.000000000000
 2 0 3 1 1 1 1 1
      0.075778343330  1.000000000000  1.000000000000  1.000000000000  1.000000000000
 S  SZV-MOLOPT-GTH
 1
 2 0 1 6 1 1
      3.817590656735  0.075558928000 -0.019219238100
      2.362751931093 -0.351216488200 -0.035664835200
      0.861004180298 -0.099160602500  0.160834397000
      0.417524512433  0.862753116400  0.507608206800
      0.181513540673  0.307053614900  0.249563613200
      0.070570776865  0.001592872500  0.025974500500
 S  DZVP-MOLOPT-GTH
 1
 2 0 2 6 2 2 1
      3.817590656735  0.075558928000 -0.045713227100 -0.019219238100  0.001714015800  0.007498037400
      2.362751931093 -0.351216488200  0.179094296600 -0.035664835200  0.064608303200  0.104757185100
      0.861004180298 -0.099160602500  0.206133423700  0.160834397000 -0.170453754100  0.344818199900
      0.417524512433  0.862753116400 -0.737640763800  0.507608206800 -0.536548069500  0.472319101700
      0.181513540673  0.307053614900  0.419230078700  0.249563613200  0.786543640200  0.204745694800
      0.070570776865  0.001592872500  0.359607313200  0.025974500500  0.740434318200 -0.019952573900
 S  TZVP-MOLOPT-GTH
 1
 2 0 2 6 3 3 1
      3.817590656735  0.075558928000 -0.045713227100 -0.334102726000 -0.019219238100  0.001714015800 -0.065081716400  0.007498037400
      2.362751931093 -0.351216488200  0.179094296600  0.901078536300 -0.035664835200  0.064608303200  0.216735258500  0.104757185100
      0.861004180298 -0.099160602500  0.206133423700  0.139445328400  0.160834397000 -0.170453754100 -0.656181270900  0.344818199900
      0.417524512433  0.862753116400 -0.737640763800 -0.236533973000  0.507608206800 -0.536548069500  0.847619826200  0.472319101700
      0.181513540673  0.307053614900  0.419230078700  0.259546805900  0.249563613200  0.786543640200  0.204233835000  0.204745694800
      0.070570776865  0.001592872500  0.359607313200 -0.378802711500  0.025974500500  0.740434318200 -0.341040490700 -0.019952573900
 S  TZV2P-MOLOPT-GTH
 1
 2 0 2 6 3 3 2
      3.817590656735  0.075558928000 -0.045713227100 -0.334102726000 -0.019219238100  0.001714015800 -0.065081716400  0.007498037400 -0.024661974800
      2.362751931093 -0.351216488200  0.179094296600  0.901078536300 -0.035664835200  0.064608303200  0.216735258500  0.104757185100  0.042689758500
      0.861004180298 -0.099160602500  0.206133423700  0.139445328400  0.160834397000 -0.170453754100 -0.656181270900  0.344818199900 -0.325440208500
      0.417524512433  0.862753116400 -0.737640763800 -0.236533973000  0.507608206800 -0.536548069500  0.847619826200  0.472319101700  0.746641212400
      0.181513540673  0.307053614900  0.419230078700  0.259546805900  0.249563613200  0.786543640200  0.204233835000  0.204745694800 -0.120502819400
      0.070570776865  0.001592872500  0.359607313200 -0.378802711500  0.025974500500  0.740434318200 -0.341040490700 -0.019952573900 -0.158216979000
 S  TZV2PX-MOLOPT-GTH
 1
 2 0 3 6 3 3 2 1
      3.817590656735  0.075558928000 -0.045713227100 -0.334102726000 -0.019219238100  0.001714015800 -0.065081716400  0.007498037400 -0.024661974800  0.013118322300
      2.362751931093 -0.351216488200  0.179094296600  0.901078536300 -0.035664835200  0.064608303200  0.216735258500  0.104757185100  0.042689758500  0.057787584100
      0.861004180298 -0.099160602500  0.206133423700  0.139445328400  0.160834397000 -0.170453754100 -0.656181270900  0.344818199900 -0.325440208500  0.679953632100
      0.417524512433  0.862753116400 -0.737640763800 -0.236533973000  0.507608206800 -0.536548069500  0.847619826200  0.472319101700  0.746641212400  0.768725285200
      0.181513540673  0.307053614900  0.419230078700  0.259546805900  0.249563613200  0.786543640200  0.204233835000  0.204745694800 -0.120502819400  0.173138012700
      0.070570776865  0.001592872500  0.359607313200 -0.378802711500  0.025974500500  0.740434318200 -0.341040490700 -0.019952573900 -0.158216979000  0.060850854200
 S  FULL-MOLOPT-GTH
 6
 2 0 3 1 1 1 1 1
      3.817590656735  1.000000000000  1.000000000000  1.000000000000  1.000000000000
 2 0 3 1 1 1 1 1
      2.362751931093  1.000000000000  1.000000000000  1.000000000000  1.000000000000
 2 0 3 1 1 1 1 1
      0.861004180298  1.000000000000  1.000000000000  1.000000000000  1.000000000000
 2 0 3 1 1 1 1 1
      0.417524512433  1.000000000000  1.000000000000  1.000000000000  1.000000000000
 2 0 3 1 1 1 1 1
      0.181513540673  1.000000000000  1.000000000000  1.000000000000  1.000000000000
 2 0 3 1 1 1 1 1
      0.070570776865  1.000000000000  1.000000000000  1.000000000000  1.000000000000
 Cl SZV-MOLOPT-GTH
 1
 2 0 1 6 1 1
      4.577034194110  0.065051807700 -0.018555371400
      2.685006367322 -0.363216561500 -0.038757218600
      1.107869270111 -0.013978112200  0.165913669300
      0.515012065056  0.656897397000  0.409671142600
      0.225105420962  0.492961793600  0.367216031300
      0.089684813445  0.053468914400  0.129741292500
 Cl DZVP-MOLOPT-GTH
 1
 2 0 2 6 2 2 1
      4.577034194110  0.065051807700 -0.056917463100 -0.018555371400  0.004980719100  0.008255008600
      2.685006367322 -0.363216561500  0.289383593800 -0.038757218600  0.062414668400  0.112659622200
      1.107869270111 -0.013978112200  0.170470730200  0.165913669300 -0.069602677800  0.303640572700
      0.515012065056  0.656897397000 -0.631234162900  0.409671142600 -0.435899779400  0.542588312000
      0.225105420962  0.492961793600  0.132599834000  0.367216031300  0.798386816000  0.275653471800
      0.089684813445  0.053468914400  0.558743621800  0.129741292500  1.105427347200 -0.001399665300
 Cl TZVP-MOLOPT-GTH
 1
 2 0 2 6 3 3 1
      4.577034194110  0.065051807700 -0.056917463100 -0.222676105800 -0.018555371400  0.004980719100  0.014188226800  0.008255008600
      2.685006367322 -0.363216561500  0.289383593800  0.906226330700 -0.038757218600  0.062414668400  0.099373116400  0.112659622200
      1.107869270111 -0.013978112200  0.170470730200  0.240057556900  0.165913669300 -0.069602677800 -0.139583547500  0.303640572700
      0.515012065056  0.656897397000 -0.631234162900 -0.584789043400  0.409671142600 -0.435899779400 -0.452556047700  0.542588312000
      0.225105420962  0.492961793600  0.132599834000  0.113336595400  0.367216031300  0.798386816000  0.872967525000  0.275653471800
      0.089684813445  0.053468914400  0.558743621800 -0.074517779100  0.129741292500  1.105427347200 -0.464881530900 -0.001399665300
 Cl TZV2P-MOLOPT-GTH
 1
 2 0 2 6 3 3 2
      4.577034194110  0.065051807700 -0.056917463100 -0.222676105800 -0.018555371400  0.004980719100  0.014188226800  0.008255008600 -0.023981761800
      2.685006367322 -0.363216561500  0.289383593800  0.906226330700 -0.038757218600  0.062414668400  0.099373116400  0.112659622200  0.022760737200
      1.107869270111 -0.013978112200  0.170470730200  0.240057556900  0.165913669300 -0.069602677800 -0.139583547500  0.303640572700 -0.255872922500
      0.515012065056  0.656897397000 -0.631234162900 -0.584789043400  0.409671142600 -0.435899779400 -0.452556047700  0.542588312000  0.152366447500
      0.225105420962  0.492961793600  0.132599834000  0.113336595400  0.367216031300  0.798386816000  0.872967525000  0.275653471800  0.683411212900
      0.089684813445  0.053468914400  0.558743621800 -0.074517779100  0.129741292500  1.105427347200 -0.464881530900 -0.001399665300 -0.558926647700
 Cl TZV2PX-MOLOPT-GTH
 1
 2 0 3 6 3 3 2 1
      4.577034194110  0.065051807700 -0.056917463100 -0.222676105800 -0.018555371400  0.004980719100  0.014188226800  0.008255008600 -0.023981761800  0.012967367100
      2.685006367322 -0.363216561500  0.289383593800  0.906226330700 -0.038757218600  0.062414668400  0.099373116400  0.112659622200  0.022760737200  0.024412096700
      1.107869270111 -0.013978112200  0.170470730200  0.240057556900  0.165913669300 -0.069602677800 -0.139583547500  0.303640572700 -0.255872922500  0.393536985500
      0.515012065056  0.656897397000 -0.631234162900 -0.584789043400  0.409671142600 -0.435899779400 -0.452556047700  0.542588312000  0.152366447500  0.715552544800
      0.225105420962  0.492961793600  0.132599834000  0.113336595400  0.367216031300  0.798386816000  0.872967525000  0.275653471800  0.683411212900  0.342440527400
      0.089684813445  0.053468914400  0.558743621800 -0.074517779100  0.129741292500  1.105427347200 -0.464881530900 -0.001399665300 -0.558926647700 -0.147002819200
 Cl FULL-MOLOPT-GTH
 6
 2 0 3 1 1 1 1 1
      4.577034194110  1.000000000000  1.000000000000  1.000000000000  1.000000000000
 2 0 3 1 1 1 1 1
      2.685006367322  1.000000000000  1.000000000000  1.000000000000  1.000000000000
 2 0 3 1 1 1 1 1
      1.107869270111  1.000000000000  1.000000000000  1.000000000000  1.000000000000
 2 0 3 1 1 1 1 1
      0.515012065056  1.000000000000  1.000000000000  1.000000000000  1.000000000000
 2 0 3 1 1 1 1 1
      0.225105420962  1.000000000000  1.000000000000  1.000000000000  1.000000000000
 2 0 3 1 1 1 1 1
      0.089684813445  1.000000000000  1.000000000000  1.000000000000  1.000000000000
#
#
# Shorter Range molecularly optimized basis sets (See intro)
#
#
 H  SZV-MOLOPT-SR-GTH
 1
 2 0 0 5 1
     10.068468228533 -0.033917444900
      2.680222868089 -0.122202212100
      0.791501539122 -0.443818861200
      0.239116150487 -0.453182186600
      0.082193184441 -0.131612861500
 H  DZVP-MOLOPT-SR-GTH
 1
 2 0 1 5 2 1
     10.068468228533 -0.033917444900  0.059193775500  0.009905134400
      2.680222868089 -0.122202212100  0.843318328900  0.122449566500
      0.791501539122 -0.443818861200 -1.155707115500  0.477183240900
      0.239116150487 -0.453182186600  0.049479621200  0.547919678200
      0.082193184441 -0.131612861500  0.522708738000  0.869031854000
 C  SZV-MOLOPT-SR-GTH
 1
 2 0 1 5 1 1
      5.605330751705  0.111532881900 -0.064868978500
      2.113016390533  0.153142194100 -0.200470255700
      0.769911454810 -0.321396879400 -0.413141730100
      0.348157086385 -0.610926421600 -0.415337139200
      0.128212254710 -0.133990862800 -0.288527673600
 C  DZVP-MOLOPT-SR-GTH
 1
 2 0 2 5 2 2 1
      5.605330751705  0.111532881900  0.466507483200 -0.064868978500 -0.055475693400  0.029952774600
      2.113016390533  0.153142194100  0.144113212800 -0.200470255700 -0.216165175200  0.070784458800
      0.769911454810 -0.321396879400  0.029364880900 -0.413141730100 -0.436624272300  0.674601058600
      0.348157086385 -0.610926421600  0.929470388400 -0.415337139200  0.784000698400  0.173652061800
      0.128212254710 -0.133990862800  1.066914331200 -0.288527673600  0.987908135000  1.036317024700
 N  SZV-MOLOPT-SR-GTH
 1
 2 0 1 5 1 1
      7.341988051825  0.113789156500 -0.053744330400
      2.542637110957  0.097294516500 -0.165752516200
      0.888574967229 -0.445077422600 -0.317365165600
      0.333802200435 -0.584142233900 -0.312039675200
      0.112012109029 -0.139562383500 -0.117936008100
 N  DZVP-MOLOPT-SR-GTH
 1
 2 0 2 5 2 2 1
      7.341988051825  0.113789156500  0.077765588400 -0.053744330400 -0.007627243700  0.033688455200
      2.542637110957  0.097294516500  0.108655219900 -0.165752516200  0.015163333100  0.109813343200
      0.888574967229 -0.445077422600 -0.374125427100 -0.317365165600 -0.129388247500  0.856542971300
      0.333802200435 -0.584142233900  0.024021712400 -0.312039675200  0.554905847400  0.509681657500
      0.112012109029 -0.139562383500  0.979415132500 -0.117936008100  1.001020469600  0.047030652200
 O  SZV-MOLOPT-SR-GTH
 1
 2 0 1 5 1 1
     10.389228018317  0.126240722900 -0.061302037200
      3.849621072005  0.139933704300 -0.190087511700
      1.388401188741 -0.434348231700 -0.377726982800
      0.496955043655 -0.852791790900 -0.454266086000
      0.162491615040 -0.242351537800 -0.257388983000
 O  DZVP-MOLOPT-SR-GTH
 1
 2 0 2 5 2 2 1
     10.389228018317  0.126240722900  0.069215797900 -0.061302037200 -0.026862701100  0.029845227500
      3.849621072005  0.139933704300  0.115634538900 -0.190087511700 -0.006283021000  0.060939733900
      1.388401188741 -0.434348231700 -0.322839719400 -0.377726982800 -0.224839187800  0.732321580100
      0.496955043655 -0.852791790900 -0.095944016600 -0.454266086000  0.380324658600  0.893564918400
      0.162491615040 -0.242351537800  1.102830348700 -0.257388983000  1.054102919900  0.152954188700
 F  SZV-MOLOPT-SR-GTH
 1
 2 0 1 5 1 1
     13.701520668842  0.112227293400 -0.076186490700
      5.098268930397  0.138913509400 -0.239982004100
      1.837941323644 -0.418624975600 -0.481912435400
      0.631758758967 -0.781149500600 -0.576092640600
      0.202026732748 -0.233361053400 -0.325681090200
 F  DZVP-MOLOPT-SR-GTH
 1
 2 0 2 5 2 2 1
     13.701520668842  0.112227293400  0.097208978300 -0.076186490700 -0.065073103800  0.014975910100
      5.098268930397  0.138913509400  0.102876192000 -0.239982004100 -0.178954386700  0.056540852300
      1.837941323644 -0.418624975600 -0.261194711300 -0.481912435400 -0.432978808900  0.421555957700
      0.631758758967 -0.781149500600 -0.613877500700 -0.576092640600 -0.420393726200  1.040368501100
      0.202026732748 -0.233361053400  0.913930794200 -0.325681090200  1.087532785600 -0.115372011600
 Si SZV-MOLOPT-SR-GTH
 1
 2 0 1 4 1 1
      1.256767641387  0.227718466600  0.067776267500
      0.506394122478 -0.024323599300 -0.213716770200
      0.238883845662 -0.558639778900 -0.409893726600
      0.087336883836 -0.207272502200 -0.353922302700
 Si DZVP-MOLOPT-SR-GTH
 1
 2 0 2 4 2 2 1
      1.256767641387  0.227718466600 -1.025748084300  0.067776267500  0.099785628800  0.159026680300
      0.506394122478 -0.024323599300  0.694283033300 -0.213716770200 -0.411985229800  0.392330436800
      0.238883845662 -0.558639778900  0.058162561600 -0.409893726600 -0.057183126300  0.393085151800
      0.087336883836 -0.207272502200 -0.258181009000 -0.353922302700  0.700307869400  0.550337119000
 P  SZV-MOLOPT-SR-GTH
 1
 2 0 1 4 1 1
      1.631862170786  0.335074115300  0.123299547600
      0.708432685319 -0.023088252600 -0.351511376700
      0.284968483654 -0.973819129700 -0.806870557100
      0.098011823689 -0.292906884000 -0.517933891800
 P  DZVP-MOLOPT-SR-GTH
 1
 2 0 2 4 2 2 1
      1.631862170786  0.335074115300  0.341512748800  0.123299547600  0.134459618400  0.174671506000
      0.708432685319 -0.023088252600  0.008045537600 -0.351511376700 -0.389557392400  0.503029215100
      0.284968483654 -0.973819129700 -0.851246931200 -0.806870557100 -0.138884374300  0.699184423900
      0.098011823689 -0.292906884000  1.328906840600 -0.517933891800  1.062071606300  0.407460906200
 S  SZV-MOLOPT-SR-GTH
 1
 2 0 1 4 1 1
      2.215854692813  0.170962878400  0.092191824200
      1.131470525271  0.127069405600 -0.162197093800
      0.410168143974 -0.733925381700 -0.605594737600
      0.140587330023 -0.176971633900 -0.213309789800
 S  DZVP-MOLOPT-SR-GTH
 1
 2 0 2 4 2 2 1
      2.215854692813  0.170962878400 -0.080726543800  0.092191824200  0.057845138800  0.113762894700
      1.131470525271  0.127069405600 -0.209877313900 -0.162197093800 -0.094737441500  0.350414093700
      0.410168143974 -0.733925381700  0.683497090800 -0.605594737600 -0.369172638100  0.866785684700
      0.140587330023 -0.176971633900 -0.625512739500 -0.213309789800  1.155699504700  0.217880463100
 Cl SZV-MOLOPT-SR-GTH
 1
 2 0 1 4 1 1
      2.379078117601  0.349064979100  0.116462270400
      1.470718465013  0.023265903500 -0.193945393700
      0.461213474057 -1.015492630400 -0.463529682400
      0.150014717415 -0.402599991500 -0.299834714700
 Cl DZVP-MOLOPT-SR-GTH
 1
 2 0 2 4 2 2 1
      2.379078117601  0.349064979100  0.153138206200  0.116462270400  0.160067891900  0.074898027900
      1.470718465013  0.023265903500  0.170051509900 -0.193945393700 -0.212781225800  0.303856570000
      0.461213474057 -1.015492630400 -0.702516267300 -0.463529682400 -0.439023237200  0.766878436800
      0.150014717415 -0.402599991500  0.681437336600 -0.299834714700  1.036634179400  0.154947398700
