! 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   0.6851447436   1.1040298072  -2.3483874833
S    1.4750057866   1.4941492919   0.9487803087
O    2.1947417132   1.4471114430   2.2026249856
O    1.1251313300   2.7725334423   0.3675390203
O    0.9155995081  -1.2621213090   1.7199309237
O   -3.7004191269   2.2953815572  -0.5824651373
O   -5.5575351501  -1.9426203518  -0.2153780295
N    3.4202349720  -0.2714696599  -0.0239928672
N    2.8247655205  -0.4415352937  -2.1808725576
N    0.0110944988   0.7207901688   1.0966411037
N   -1.2767977018  -1.2108359390   1.1744160645
N   -2.4775586406   0.5773509454   0.3008787772
N   -3.4138196252  -1.5800698843   0.4909504402
C    2.3227203397   0.5458787914  -0.2204434814
C    3.6898145207  -0.8431051514  -1.2485188531
C    2.0049238763   0.3838056592  -1.5546982448
C    4.1517264790  -0.5683870683   1.0867665739
C    4.7655078776  -1.7312871484  -1.3724505159
C    5.1919751558  -1.4340287955   0.9747315050
C    5.5102631802  -2.0226311189  -0.2663136137
C   -0.0517261236  -0.6228350837   1.3587443594
C   -2.4393773924  -0.7020407692   0.6308021868
C   -3.6122586172   1.0245524240  -0.2287644080
C   -4.5389115832  -1.1190864315  -0.0384921646
C   -4.7088382199   0.2047875638  -0.4263255813
C   -2.5697263866   3.1446820470  -0.3998232112
C   -5.4120285042  -3.3138736303   0.1493076814
H    3.8779711258  -0.0953480230   2.0129372992
H    4.9712354879  -2.1668362240  -2.3391275826
H   -0.8324509779   1.1683531195   0.7072138888
H    5.7685197031  -1.6631140722   1.8580273979
H    6.3434208436  -2.7070586692  -0.3369873344
H   -1.3009083417  -2.1982500798   1.3931556028
H   -5.6304361183   0.5676366144  -0.8567097282
H   -2.2880770235   3.2219973545   0.6503675389
H   -2.8774122402   4.1241620414  -0.7539705147
H   -1.7159944662   2.8112574545  -0.9909320568
H   -4.6124051939  -3.7965743915  -0.4112667084
H   -6.3581126854  -3.7849000484  -0.1018911166
H   -5.2268400023  -3.4293707927   1.2164996790
*