! 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  -6.1590738281   0.8474357269   0.6203890634
O    2.7696946354   1.3661049323   0.8858131764
O    0.0023433280  -1.6471473275   0.2748140446
N    2.0413792991  -0.6535563172   0.1941387488
N    1.7512684291  -2.8782627756  -0.4884014096
N    2.0028367505  -4.5929203797  -1.8447423859
C    1.5774477862   0.6203949226   0.8215194664
C    3.4313512947  -0.5058376067  -0.3159809445
C    3.5404756048   1.0179868658  -0.2392846117
C    0.5397663471   1.3194106875  -0.0688239918
C    1.0933472138   0.4159030863   2.2455358064
C    4.4561768107  -1.1446423562   0.6146666817
C    3.6379956006  -0.9570377249  -1.7543641958
C    0.2863372406   2.7744956527   0.3063126494
C    1.1919393495  -1.6650902618   0.0238955116
C   -0.8285509385   3.4038730244  -0.5367811183
C   -2.1736943279   2.7864639260  -0.2780817282
C    2.4673907795  -3.8186820107   0.2105730233
C    1.4848530367  -3.4045116043  -1.7096481365
C   -2.7055575627   1.8168359468  -1.1237891263
C   -2.9072571907   3.1433634617   0.8519915700
C    2.6115423150  -4.8645662022  -0.6476145062
C   -3.9271726213   1.2142561360  -0.8567469066
C   -4.1304187505   2.5560267497   1.1362151625
C   -4.6297881740   1.5908186250   0.2754684101
H    4.5666631930   1.3510539356  -0.0864343461
H    3.1604691796   1.4895407146  -1.1545563301
H   -0.3922752107   0.7580687413  -0.0143187195
H    0.8611582157   1.2740499226  -1.1143606152
H    0.9776054255   1.3796714155   2.7410022762
H    1.8111696882  -0.1695665781   2.8200883762
H    0.1300857831  -0.0860973769   2.2758537312
H    5.4605399800  -0.8818571532   0.2800701021
H    4.3931848797  -2.2307167058   0.6115111506
H    4.3431582927  -0.7971649170   1.6417611270
H    3.7891895953  -2.0303293133  -1.8507082527
H    2.8112653958  -0.6556139094  -2.3984839825
H    4.5413953034  -0.4782666446  -2.1366851765
H    0.0186731590   2.8637799687   1.3629575280
H    1.1946731502   3.3632225803   0.1655854353
H   -0.5769399245   3.3169501440  -1.5968639000
H   -0.8705417882   4.4722017379  -0.3135054023
H    2.7659032784  -3.6784021883   1.2354571028
H    0.9262981350  -2.8634806090  -2.4576617779
H   -2.1612170860   1.5197685727  -2.0119058532
H   -2.5222897765   3.8985135392   1.5270251397
H    3.1165675805  -5.7987795466  -0.4620266783
H   -4.3206763386   0.4621103717  -1.5268399256
H   -4.6849093813   2.8512870625   2.0165686225
*