! 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  -5.3934518937   4.4657679996   1.1501699502
O    1.7937757157   1.3113025616   0.6095188118
O    0.5290194845  -2.6245525532   0.8007094140
N    1.9300406704  -0.9251799948   0.2506418255
N    2.4386774127  -3.1494155128  -0.3066243858
N    3.1000712183  -4.7129208307  -1.7063703444
C    1.1241234839   0.1150157691   0.9490563533
C    3.0922489035  -0.3145543001  -0.4442340043
C    2.5676278669   1.1147254665  -0.5501288098
C   -0.3379313717   0.1774314245   0.4933992485
C    1.2035657791  -0.0431809688   2.4595772359
C    4.3504730029  -0.3467459716   0.4179511578
C    3.3693891404  -0.8477874316  -1.8421455620
C   -0.5850023660   0.2618703016  -1.0067280746
C    1.5533157679  -2.2033754656   0.2996391355
C   -2.0691477141   0.1125198545  -1.3568786911
C   -2.9268465814   1.1846682387  -0.7460558998
C    3.6113311190  -3.6496311055   0.2035027117
C    2.1728349656  -3.8345312698  -1.4466310741
C   -2.9255188331   2.4763302710  -1.2694468979
C   -3.7129971779   0.9327063668   0.3744037341
C    4.0007780180  -4.6085906904  -0.6800688269
C   -3.6790739292   3.4889834987  -0.6963165166
C   -4.4743673061   1.9322048630   0.9645250871
C   -4.4479017173   3.2059216747   0.4222582592
H    3.3775494394   1.8439499752  -0.5610490024
H    1.9785239339   1.2483869283  -1.4635204807
H   -0.7620387534   1.0576332178   0.9841177289
H   -0.8751373671  -0.6771218181   0.9033594751
H    0.7155739512   0.8039853379   2.9428846786
H    2.2391677665  -0.0789456007   2.7975398628
H    0.6994369427  -0.9469478089   2.7948741423
H    5.1451597437   0.2082934437  -0.0815298189
H    4.7156774594  -1.3591634113   0.5746243151
H    4.1874172297   0.1108977356   1.3938294469
H    3.9393524343  -1.7746912555  -1.8472594011
H    2.4526394951  -0.9871700721  -2.4158843384
H    3.9741230725  -0.1088462301  -2.3706567499
H   -0.2239061752   1.2140733335  -1.4029687682
H   -0.0384484086  -0.5234630232  -1.5361468900
H   -2.4191358977  -0.8692246079  -1.0286942335
H   -2.1738337295   0.1347059946  -2.4439888137
H    4.0276034008  -3.3206212389   1.1400545009
H    1.2962674101  -3.6383447381  -2.0448750096
H   -2.3282815430   2.7022924179  -2.1448733356
H   -3.7380242605  -0.0626324768   0.8009769260
H    4.8770279021  -5.2342598338  -0.6206367257
H   -3.6669087470   4.4838799129  -1.1203115233
H   -5.0781884059   1.7140771936   1.8349032019
*