! 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  -4.7856865201   1.6009482918  -2.5976405347
O    1.9406602040   1.5302615349  -0.2423627175
O    1.8622061198  -1.6380259630   2.4138419812
N    1.8715551599  -0.6457757361   0.3724794573
N    1.7358906362  -2.9789699289   0.5886708184
N    2.2425824733  -5.0784117044   0.1735465110
C    1.7974572693   0.7435144396   0.9170084323
C    2.1280776310  -0.6144199765  -1.0912717308
C    2.6927290765   0.8018079307  -1.1769694910
C    0.4089852698   1.0108116301   1.4929040460
C    2.9317833289   1.0598545104   1.8870921929
C    3.1650581047  -1.6100945592  -1.5879913541
C    0.8416020111  -0.7055809009  -1.9080554775
C    0.1497941043   2.4644179717   1.8706946204
C    1.8310717172  -1.6918836956   1.2021537932
C   -1.3251209765   2.7145132882   2.2073507704
C   -2.2324183152   2.4556464597   1.0366168642
C    0.6547361765  -3.5144177003  -0.0668822888
C    2.6520471403  -3.9727752686   0.7248716019
C   -3.0281529276   1.3157413971   0.9717212206
C   -2.2544159671   3.3308764066  -0.0476459935
C    0.9936327305  -4.8091412209  -0.3150229118
C   -3.8169645499   1.0442199791  -0.1377756235
C   -3.0352219963   3.0794218113  -1.1646528651
C   -3.8104674791   1.9305178662  -1.2010319258
H    3.7650437355   0.8129703101  -0.9413245018
H    2.5584564242   1.2450726098  -2.1636084184
H    0.2523644022   0.3791399101   2.3693090644
H   -0.3191184093   0.6930927992   0.7420094126
H    2.9814771284   2.1389292254   2.0369233377
H    3.8981443369   0.7370318436   1.4959740166
H    2.7898684029   0.5957506987   2.8590147405
H    4.0298030015  -1.6663169516  -0.9264218233
H    3.5237261851  -1.2706319272  -2.5618684005
H    2.7651201359  -2.6114224889  -1.7367707047
H    0.3810813818  -1.6888148858  -1.8439590289
H    0.1050257199   0.0354823971  -1.5964265701
H    1.0649300023  -0.5274438309  -2.9609563980
H    0.7524058932   2.7460521545   2.7376734568
H    0.4436690040   3.1309080171   1.0561841142
H   -1.4367582388   3.7499040598   2.5385059456
H   -1.6208338570   2.0858469977   3.0510377894
H   -0.2498512090  -2.9597761140  -0.2468207261
H    3.6009366081  -3.8136341220   1.2136043531
H   -3.0344410190   0.6157238842   1.7988169420
H   -1.6501479163   4.2305102849  -0.0279387052
H    0.3984156098  -5.5605825053  -0.8099647136
H   -4.4243080107   0.1494389437  -0.1675132511
H   -3.0364559812   3.7726709960  -1.9951783104
*