! 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  -5.2140729827  -0.7506382576  -0.4630622361
O    3.1841663240   1.3199886182   0.9342098627
O    2.4883274972  -2.4197776946  -1.3848665438
N    2.4875211277  -0.4197206148  -0.3182134097
N    0.6698251880  -1.9016144331  -0.1223778174
N   -0.8698876204  -3.0060848319   0.9978738755
C    2.0338083475   0.5282428728   0.7490600547
C    3.7752433097   0.0295825689  -0.8986185972
C    3.8305126350   1.4381821637  -0.3118712203
C    0.8617017429   1.3717566219   0.2483017143
C    1.7474314896  -0.1414328303   2.0837369248
C    4.9413114250  -0.8077644708  -0.3797325333
C    3.7630050534   0.0945025190  -2.4181264118
C    0.3998270427   2.4556163332   1.2118412954
C    1.9666759263  -1.5992106133  -0.6565110044
C   -0.8192808767   3.2071659477   0.6645336166
C   -1.9664151984   2.2794875927   0.3747594694
C   -0.5418506487  -1.5092216153  -0.6410332007
C    0.4103485890  -2.8165280388   0.8454172925
C   -2.3140518293   1.9462402867  -0.9307775924
C   -2.6609833507   1.6665778214   1.4157214146
C   -1.4735756358  -2.1957292704   0.0728696485
C   -3.3163557399   1.0245363257  -1.2008438823
C   -3.6629468632   0.7419073178   1.1686583664
C   -3.9800279443   0.4279871664  -0.1433870239
H    4.8518036654   1.7820204702  -0.1501881371
H    3.3256348910   2.1625546414  -0.9628804206
H    0.0233035381   0.7033064454   0.0599886079
H    1.1143833308   1.8212926723  -0.7172251589
H    1.8372766772   0.5966674944   2.8803074826
H    2.4630513407  -0.9369595560   2.2912789223
H    0.7398364338  -0.5463957205   2.1402357630
H    4.9893375122  -0.7919648660   0.7098705986
H    5.8789604189  -0.4015822505  -0.7613094066
H    4.8742767143  -1.8438212407  -0.7046799042
H    3.8347825886  -0.8862878284  -2.8813475588
H    2.8645911645   0.5904197427  -2.7875396585
H    4.6225812474   0.6782491246  -2.7521702080
H    0.1353840336   2.0178646995   2.1779054922
H    1.2008575275   3.1726543339   1.4025127105
H   -0.5405219425   3.7423274766  -0.2462294814
H   -1.1229836832   3.9626513170   1.3926981727
H   -0.6253096805  -0.8204614314  -1.4645637283
H    1.1958643257  -3.2961118849   1.4081389381
H   -1.7880369959   2.4041544632  -1.7596774968
H   -2.4143939747   1.9055210599   2.4434644867
H   -2.5450410959  -2.1577041726  -0.0373082522
H   -3.5672972521   0.7756595716  -2.2230416215
H   -4.1872381400   0.2727441866   1.9900455644
*