! 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  -5.7287002242   0.2284849861   1.1084984421
O    3.1163563220   1.6190848363   0.6876819838
O    0.1084397584  -1.1870325507   1.0644686115
N    2.0539425523  -0.3250835750   0.2759031158
N    1.1625183487  -2.3103330270  -0.6034143049
N    1.2207854770  -4.4004656148  -1.2905457474
C    1.9692099219   0.9138074577   1.0999792354
C    3.3794889400  -0.4267717786  -0.3890487974
C    4.1105430632   0.6669447369   0.3938077917
C    0.7462961440   1.7683338947   0.7807257910
C    2.0488882281   0.6075054911   2.5927704774
C    4.0869716185  -1.7589801333  -0.1848803794
C    3.3308270807  -0.0550729230  -1.8672163635
C    0.5022714354   2.0422488392  -0.6954154246
C    1.0697231566  -1.2229002978   0.3224259952
C   -0.7357038233   2.9128574582  -0.9270933194
C   -1.9995427804   2.2685972380  -0.4307102195
C    0.8707759083  -2.2832233909  -1.9457492026
C    1.3430092703  -3.6108642884  -0.2612034456
C   -2.5372867619   1.1647823258  -1.0901568932
C   -2.6425811231   2.7239628557   0.7158876162
C    0.9168673736  -3.5823210260  -2.3461361981
C   -3.6802142021   0.5328052985  -0.6268899013
C   -3.7883556328   2.1056224881   1.1977315332
C   -4.2969025649   1.0113078570   0.5191927641
H    4.5673413277   0.2623983714   1.3053653719
H    4.8952068294   1.1394846767  -0.1957211432
H    0.8815936207   2.7161835993   1.3111110476
H   -0.1316576263   1.3015594779   1.2262383401
H    2.1075408212   1.5449307446   3.1467092125
H    2.9277225488   0.0119069156   2.8416365944
H    1.1711391299   0.0704560403   2.9423960770
H    3.9836472061  -2.1220226779   0.8381053706
H    5.1518261403  -1.6160143722  -0.3763709533
H    3.7475965158  -2.5330778321  -0.8704708877
H    2.8060307544  -0.7977981515  -2.4638056678
H    2.8580140507   0.9130687374  -2.0303524624
H    4.3492305492   0.0019782095  -2.2533875033
H    1.3646601386   2.5463950235  -1.1356064156
H    0.3779494629   1.1055780249  -1.2467164871
H   -0.8226085858   3.1144808117  -1.9972447113
H   -0.5983799894   3.8799489703  -0.4376050819
H    0.6283258624  -1.3771475260  -2.4746666229
H    1.5780861296  -3.9119922159   0.7476200354
H   -2.0609144342   0.7876949281  -1.9875308569
H   -2.2464597010   3.5790147884   1.2499966738
H    0.7417654966  -3.9683729384  -3.3373290703
H   -4.0838260855  -0.3203425898  -1.1551207203
H   -4.2726448715   2.4758226542   2.0911487729
*