! 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   0.7205723219  -0.2177358924   2.1373707054
Cl   4.2377395203  -2.0020081470  -1.4210604703
O   -2.1560829003  -0.2237989683  -1.3322683910
O   -1.8619900855  -0.0642686919   0.8674207533
N   -0.2919709505   2.4229879626   0.3693405117
N   -0.6507622652   2.8107461387   1.5960161992
N    1.5349633941   3.1965882862   1.2567341351
C   -1.2751172246   0.2550050784  -0.3490529694
C   -2.9756310985  -1.2516085568  -0.7633600427
C   -2.4544514128  -1.3367445645   0.6725404789
C   -1.2111355659   1.7761797824  -0.5280331945
C    0.1090640470  -0.3747812650  -0.5371469341
C   -4.4381146101  -0.8578707286  -0.8747374977
C   -5.3699841939  -1.9936658885  -0.4811668974
C    1.0422667146  -0.5825209536   0.4778807323
C    0.5085515253  -0.6870885352  -1.8359449321
C    2.3082825525  -1.0894674877   0.2120750638
C    1.7650723904  -1.1849860145  -2.1291176962
C    1.0106594563   2.6502355301   0.1886747379
C    2.6589784077  -1.3836803559  -1.0914425282
C    0.4733880506   3.2644421558   2.0821445532
H   -2.7983390176  -2.1873260814  -1.3021555040
H   -3.2362286227  -1.4721516032   1.4189663608
H   -1.7201375403  -2.1404388898   0.7932581960
H   -2.2018288620   2.2018848186  -0.3751013183
H   -0.9040880245   1.9994493056  -1.5491193953
H   -4.6456758968  -0.5623287174  -1.9060481091
H   -4.6277187746   0.0197246542  -0.2493023459
H   -6.4119404980  -1.6895516228  -0.5780441916
H   -5.2224867567  -2.8680335464  -1.1175152410
H   -5.2207985874  -2.3094557031   0.5528521507
H   -0.1803875123  -0.5354692353  -2.6548893135
H    3.0092579129  -1.2443887695   1.0201915100
H    2.0354484878  -1.4115830160  -3.1506766562
H    1.5225625343   2.4299531534  -0.7355515014
H    0.5307728740   3.6721287891   3.0793719743
*