! 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 "1-OCTANOL"
end
*xyz 0 1
Cl  -4.5440508418   1.8100796847  -2.9723558323
O    2.4129463176   1.4156555344   0.4146357926
O    2.5474731572  -2.7668099595  -1.0228257481
N    2.0419916030  -0.7128595332  -0.2026187515
N    1.4885415523  -2.6630525369   0.9837739403
N   -0.0658590455  -3.6113646136   2.2206365302
C    1.8293991931   0.2450475508   0.9287791602
C    2.4606502951   0.0157476084  -1.4241157116
C    2.1649316988   1.4441028147  -0.9689273593
C    0.3322106729   0.4603960069   1.1942736621
C    2.6020938062  -0.1127594561   2.1860532272
C    3.9546847029  -0.1424075821  -1.6997630875
C    1.6249939385  -0.3459615020  -2.6423238784
C    0.0040614609   1.7392801763   1.9539406770
C    2.0825602297  -2.0476751637  -0.1648083877
C   -1.4992038205   1.8702196042   2.2237265031
C   -2.3103554817   1.8703573453   0.9584274627
C    2.1439732381  -3.4847799150   1.8676728050
C    0.1569374389  -2.8010529007   1.2279076039
C   -2.2947743478   2.9739157568   0.1078005781
C   -3.0420252474   0.7529220740   0.5677772906
C    1.1669805373  -4.0377167957   2.6353861075
C   -2.9789205994   2.9662647482  -1.0974627589
C   -3.7329515863   0.7239226749  -0.6354245206
C   -3.6919638036   1.8342800619  -1.4614380626
H    2.8266954310   2.1752607323  -1.4327546172
H    1.1303614401   1.7372804366  -1.1921695219
H   -0.0481518815  -0.3869345336   1.7656850807
H   -0.2081894983   0.4527039010   0.2444963619
H    2.6617762485   0.7644513947   2.8302116256
H    3.6212653485  -0.4203081592   1.9515363426
H    2.1215803113  -0.8985246489   2.7628530810
H    4.5540582883   0.1751829539  -0.8454198241
H    4.2344803662   0.4793681588  -2.5516174775
H    4.2204156666  -1.1689191530  -1.9411276373
H    1.8059789010   0.3853319195  -3.4315590509
H    1.8739090968  -1.3262391072  -3.0424495225
H    0.5587956494  -0.3274096072  -2.4138063613
H    0.5265859291   1.7604002902   2.9134903377
H    0.3449853552   2.6136953676   1.3953362048
H   -1.6748487560   2.7956386753   2.7774835930
H   -1.8266538667   1.0532830816   2.8716248993
H    3.2171262081  -3.5747457177   1.8845545689
H   -0.5918364363  -2.3085626920   0.6271499880
H   -1.7379727174   3.8615392777   0.3851568645
H   -3.0736997635  -0.1204156316   1.2086686554
H    1.2857091657  -4.7168529549   3.4649496314
H   -2.9549850544   3.8341670364  -1.7427657541
H   -4.2924446314  -0.1569422508  -0.9204114384
*