! 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   5.9412503581   0.0661361194  -0.2839823999
O   -2.6309424445   0.2645431926   1.6874659471
N   -2.1821473597  -1.8301226085  -0.2665992343
N   -2.3081802623  -2.6204689319   0.8026005643
N   -0.5846134782  -3.2934996495  -0.4700011652
C   -3.1438913049   1.8798509701  -0.1340897162
C   -2.4343215239   0.5748685576   0.3319841772
C   -2.4156875949   2.1810556122  -1.4491740198
C   -0.9858319306   0.8196661582  -0.0554169681
C   -0.9518155793   1.7875649588  -1.2054218138
C   -2.9741923811  -0.6398966961  -0.4505641188
C   -2.8625180527   2.9968869210   0.8748533599
C   -4.6502064517   1.7448216277  -0.3092113424
C    0.0190467932   0.2092958619   0.5808967542
C    1.4565861312   0.2450088257   0.3252614162
C   -1.1456479963  -2.2349418912  -1.0004077625
C    2.0869475422   1.0243017411  -0.6513964167
C    2.2681194998  -0.5842612254   1.1093047188
C   -1.3355254067  -3.4773856251   0.6315238044
C    3.4589014646   0.9735532231  -0.8377519521
C    3.6389559400  -0.6474842657   0.9345318872
C    4.2274010619   0.1359678650  -0.0454325463
H   -2.5199486411   3.2272976467  -1.7389499382
H   -2.8388720899   1.5903610246  -2.2649199593
H   -0.3503034852   2.6635725219  -0.9494682336
H   -0.4934279490   1.3531256947  -2.0976881798
H   -2.9981983055  -0.4318294003  -1.5188402379
H   -3.9941352764  -0.8645931450  -0.1411077282
H   -3.3719013009   2.8283662149   1.8253225632
H   -1.7980039127   3.1265456779   1.0853984026
H   -3.2288099781   3.9470000969   0.4830013022
H   -5.0847848091   2.7091087935  -0.5791203787
H   -4.9231302938   1.0421069129  -1.0977110827
H   -5.1329669326   1.4193726988   0.6145636638
H   -2.1604200222   0.9135683493   2.2229549985
H   -0.2525057562  -0.4475000158   1.4031169626
H   -0.8505462058  -1.7471199655  -1.9159296983
H    1.5221901153   1.6871413005  -1.2879503042
H    1.8144563804  -1.2005332932   1.8756519344
H   -1.1651729247  -4.2811061544   1.3307873617
H    3.9201976851   1.5853680594  -1.6009549359
H    4.2366773627  -1.3014102483   1.5545659088
*