! 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   5.2853018363   0.1507917311  -0.5856438028
O   -1.2171526246  -0.0199805286  -1.4847696090
N   -0.2779126262   1.6141293250   0.7674764786
N    0.5970928277   1.7846811285  -0.2300076822
N    1.5891867179   2.1542339838   1.7422948472
C   -1.8031239359  -0.0961005033  -0.2030802280
C   -3.2906630435  -0.4580484488  -0.4008210134
C   -1.2536090029  -1.2528705531   0.7040345330
C   -3.6816712346  -1.1228327829   0.9118004849
C   -2.4950207781  -2.0413142837   1.1669615636
C   -4.2356199175   0.6207309216  -0.9566882943
C   -1.6563805691   1.2544472013   0.5107418519
C   -0.2351538837  -2.1809562657   0.0373832986
C   -4.9038303781   1.4901576817   0.1064648595
C   -5.3158914356  -0.0349663762  -1.8141862311
C    1.1405616190  -1.5998815537  -0.1387572906
C    0.3313963892   1.8255252466   1.9316368693
C    1.6800821602  -1.3498782795  -1.3970267285
C    1.9246790617  -1.3137382148   0.9767354183
C    2.9541088929  -0.8205264087  -1.5463075876
C    3.1987780787  -0.7860545281   0.8504794014
C    1.6990999445   2.0993634521   0.4043072094
C    3.7014460826  -0.5390464191  -0.4163805736
H   -3.2584012675  -1.2625323323  -1.1486428508
H   -0.7784399754  -0.8194848553   1.5896308435
H   -4.6277100451  -1.6626983012   0.8467716033
H   -3.7866360602  -0.3898453890   1.7169586210
H   -2.4076455811  -2.3634826463   2.2051756946
H   -2.6059430826  -2.9456469306   0.5611323643
H   -3.6541169496   1.2740922145  -1.6170200878
H   -2.1574870994   1.2381815545   1.4771160908
H   -2.1012846907   2.0534062591  -0.0835781285
H   -0.6231522316  -2.5324220130  -0.9206784335
H   -0.1506804465  -3.0687445137   0.6718923077
H   -0.3567092189   0.4199970335  -1.4161897883
H   -5.5905229340   0.9066517794   0.7228589510
H   -5.4902910140   2.2789014862  -0.3680027591
H   -4.2001347909   1.9796069054   0.7791276893
H   -4.8838961937  -0.5800639132  -2.6550537843
H   -6.0043162002   0.7075071453  -2.2218461286
H   -5.9090011060  -0.7437497051  -1.2310170574
H   -0.1774010428   1.7480067843   2.8794182356
H    1.1033787652  -1.5753475028  -2.2851912939
H    1.5387021964  -1.5043372271   1.9708967386
H    3.3524890798  -0.6314341024  -2.5338230891
H    3.7869579835  -0.5655382992   1.7303930831
H    2.6140620662   2.3107553699  -0.1252338328
*