! wb97x-d3
! def2-TZVPP
! def2/J RIJCOSX GRIDX6 NOFINALGRIDX
! grid4 nofinalgrid
! scfconv7
! smallprint printgap noloewdin
! NOSOSCF
%MaxCore 8000
%output
       print[P_BondOrder_M] 1
       print[P_Mayer] 1
       print[P_basis] 2
end
%pal
    nprocs 8
end
%cpcm
    smd    true
    smdsolvent "WATER"
end
*xyz 0 1
Cl   1.5744830268   1.1897034474   2.7357072728
Cl  -7.6419981307  -0.0346268870  -2.1169672903
O    2.7385355802  -0.8684002601  -1.1131781754
O    3.4449346553   0.4472820143   0.5360389755
O   -2.7186367008   1.9720757086   0.3419853699
N    3.7557875963  -2.2928186034   1.1522664778
N    4.6406219647  -2.0065806136   2.1106871091
N    5.5262787475  -3.4370216136   0.6255201202
C    2.4351279719  -0.4470407561   0.1867443667
C    3.5503364458   0.1217075056  -1.7526238022
C    2.4598453549  -1.6703355006   1.1032723656
C    3.7423169656   1.1649531736  -0.6480221783
C    1.0543233418   0.2064931828   0.2340297593
C    4.8358283052  -0.5051185042  -2.2421506354
C    0.5970176522   0.9436474421   1.3259190550
C    0.1752691934   0.0606560077  -0.8351540501
C   -0.6694882842   1.5021076620   1.3550577709
C   -1.0910120856   0.6208580727  -0.8418038351
C   -1.5116222179   1.3415389730   0.2655385476
C    4.3015456648  -3.1322853636   0.2721327653
C    5.6769568946  -2.7172554356   1.7531534851
C   -3.8303656718   1.4472529306  -0.2650009189
C   -4.1191908801   0.0892008828  -0.2492598157
C   -4.7113604009   2.3492143113  -0.8424719245
C   -5.2932959129  -0.3663713441  -0.8277683108
C   -5.8921023155   1.8953984931  -1.4079730097
C   -6.1720332680   0.5384391710  -1.4023185543
H    2.9980454552   0.5460184380  -2.5951082339
H    1.7303320658  -2.3944383949   0.7421008695
H    2.1779419138  -1.4060296139   2.1190928624
H    4.7631536846   1.5399340185  -0.5819833656
H    3.0671560501   2.0175201196  -0.7744924675
H    5.4090221459   0.2270641164  -2.8116271738
H    5.4577906315  -0.8495589010  -1.4146365919
H    4.6373121706  -1.3516644415  -2.8999614231
H    0.4856596607  -0.5050456167  -1.7018205557
H   -1.0024505812   2.0665598306   2.2157402548
H   -1.7257404185   0.4927460166  -1.7081227209
H    3.7720541177  -3.5103595804  -0.5868405054
H    6.5842158966  -2.7228061537   2.3365786556
H   -3.4476662980  -0.6232598315   0.2115369929
H   -4.4821696995   3.4066377684  -0.8444072768
H   -5.5182284821  -1.4237601733  -0.8177698194
H   -6.5804688896   2.6009076634  -1.8521332476
*
