! 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  -0.1173213657   0.5370374135  -2.3185380653
Cl  -1.6013655319   5.0526448111   0.0554249171
O   -0.0928732843  -1.1112216023   1.9888300292
N   -0.8795193048  -3.0801179953   0.0543806854
N   -0.3459259773  -3.7170298660  -0.9932580067
N   -0.4686207585  -5.0889233723   0.7777044739
C   -0.0760909995  -0.7993663878   0.6122408680
C    1.3145888522  -1.1333220232   0.0424706689
C   -1.1883625376  -1.6714428889   0.0062301358
C    2.3947692027  -0.1121532615   0.3842790602
C   -0.4694052894   0.6714803148   0.4083236813
C    3.7766539973  -0.5713208367  -0.0627048503
C   -0.5084885139   1.3304150211  -0.8228928069
C   -0.8198086253   1.4352868439   1.5206157933
C    4.8564753279   0.4562980480   0.2373512808
C   -0.8547076431   2.6685146367  -0.9414488641
C   -1.1687163620   2.7725505099   1.4359980070
C   -0.9360488833  -3.9063095301   1.0986596119
C   -1.1795340399   3.3829309014   0.1965432459
C   -0.1210180297  -4.9105823621  -0.5097361604
H    1.2727190828  -1.2637617968  -1.0373183274
H    1.6010144649  -2.1079833654   0.4491498166
H   -1.3730670304  -1.4202239735  -1.0340035025
H   -2.1159043298  -1.5001575579   0.5531093979
H    2.1687540305   0.8473748045  -0.0892620829
H    2.4213850524   0.0847972453   1.4626343078
H    3.7560659997  -0.7788897347  -1.1366066727
H    4.0224890192  -1.5180175568   0.4266293390
H    0.7474274862  -0.8550466411   2.3862687835
H   -0.8209351134   0.9766861071   2.4978655928
H    4.6525972871   1.4032150999  -0.2659176360
H    4.9230791090   0.6609682883   1.3075091225
H    5.8375688560   0.1135197115  -0.0931675637
H   -0.8652253031   3.1423191943  -1.9129772779
H   -1.4248842248   3.3214292844   2.3312000986
H   -1.3388517778  -3.6205622557   2.0562725794
H    0.3070746418  -5.6916350822  -1.1183336949
*
