! 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  -4.0726962462   1.6129149201  -2.9116887423
O    1.7617851736   1.4552269222  -0.2213794943
O    1.6384791353  -1.6755761917   2.4681974095
N    1.6273855437  -0.6934629816   0.4211699977
N    1.6554007685  -3.0291784191   0.6464070447
N    2.4670078522  -4.8756681808  -0.2331017746
C    1.7290610371   0.6960347201   0.9604301827
C    1.2438022508  -0.6628816241  -1.0187501096
C    0.9055122272   0.8280012504  -1.1393450558
C    0.4862087444   1.0427063943   1.7967754873
C    3.0292525186   0.9488426557   1.6973028156
C    2.4091241663  -0.9948932105  -1.9438811186
C    0.0130331536  -1.4899478143  -1.3601652656
C    0.2930002923   2.5397684534   2.0438292189
C    1.6348289289  -1.7355059977   1.2564887566
C   -1.1875208724   2.9082894229   2.2151255415
C   -1.9750398118   2.6242447924   0.9658624566
C    0.7043389219  -4.0006760093   0.8398464465
C    2.7042346621  -3.6202749635   0.0149645388
C   -2.8189515613   1.5210432030   0.8732414452
C   -1.8112789479   3.4182313554  -0.1681446814
C    1.2175617530  -5.1226472464   0.2668941752
C   -3.4690926907   1.2017203847  -0.3112101487
C   -2.4549867857   3.1206202036  -1.3588426479
C   -3.2759749119   2.0050412426  -1.4217254468
H    1.1070140608   1.2166603228  -2.1377601628
H   -0.1519246770   1.0178730523  -0.9099956393
H    0.5338097792   0.5178202602   2.7498596178
H   -0.3906352721   0.6402630385   1.2834855638
H    3.0610291717   0.4310026420   2.6524847272
H    3.1345504549   2.0159875283   1.8989115920
H    3.8859393951   0.6339363484   1.1002607630
H    2.6814441435  -2.0472503196  -1.9125484392
H    3.2940053597  -0.4032268335  -1.7071398352
H    2.1256194049  -0.7754026309  -2.9742983486
H   -0.7809749585  -1.3594503730  -0.6230629682
H   -0.3774152403  -1.1486497253  -2.3211783676
H    0.2214042222  -2.5527679287  -1.4659737191
H    0.8388289231   2.8508069489   2.9376228359
H    0.6980566391   3.1274178605   1.2178172237
H   -1.2596011913   3.9689763564   2.4680988901
H   -1.6136476081   2.3571575423   3.0572294270
H   -0.2345653040  -3.8005026476   1.3279440565
H    3.6177501912  -3.0887468678  -0.2000942221
H   -2.9706432423   0.8862405925   1.7382162749
H   -1.1646110080   4.2871116785  -0.1297378805
H    0.7527024219  -6.0929110372   0.1877528312
H   -4.1138182818   0.3344045209  -0.3604957386
H   -2.3119395789   3.7500780124  -2.2269333015
*