! 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  -5.3168552647   1.8776314846  -2.1405241373
O    1.3062365643   1.3087582789  -0.3192144191
O    2.0347842706  -1.7368930568   2.3802215429
N    1.6906588440  -0.8144325872   0.3361824789
N    2.3607523569  -3.0563989938   0.5576644440
N    3.6527799002  -4.6859058626  -0.1635306515
C    1.4193449497   0.5595100426   0.8651347379
C    1.4896667098  -0.8582830507  -1.1335076757
C    0.7543212698   0.4731890763  -1.3019194272
C    0.1085211106   0.5677068630   1.6645829843
C    2.5995409702   1.1210394434   1.6396331483
C    2.8118711155  -0.8232182664  -1.8946216859
C    0.5993877387  -1.9910765433  -1.6254525276
C   -0.2519571223   1.8806342462   2.3579141685
C    2.0108927884  -1.8061242373   1.1696878642
C   -0.6324071792   3.0656044145   1.4644475691
C   -1.7993948305   2.7872330467   0.5571689370
C    1.6067381799  -4.2029308520   0.6123295986
C    3.5928284118  -3.4140374032   0.1061331877
C   -1.6755239768   2.8456817197  -0.8272820605
C   -3.0470128299   2.4577048443   1.0864740434
C    2.4174209707  -5.1885522761   0.1402655494
C   -2.7489869305   2.5724456904  -1.6647205097
C   -4.1307233507   2.1797046835   0.2692046284
C   -3.9697023954   2.2342851342  -1.1071502965
H    0.9193127628   0.9178837660  -2.2826906597
H   -0.3264041530   0.3425200049  -1.1690510822
H    0.1810272182  -0.1955507623   2.4387337430
H   -0.7138783962   0.2551308906   1.0144080438
H    3.5350461738   0.9287364964   1.1135757884
H    2.6709056919   0.6990410286   2.6387839050
H    2.4937508402   2.2011916596   1.7419670108
H    3.4434979280   0.0055638410  -1.5730187821
H    2.6179153736  -0.7020713580  -2.9612622138
H    3.3758504502  -1.7467749036  -1.7800038694
H   -0.2763829344  -2.1220578631  -0.9889007758
H    0.2413366823  -1.7405447721  -2.6258032419
H    1.1190308703  -2.9434813986  -1.7062663190
H   -1.0926268688   1.6652150058   3.0227690149
H    0.5602015139   2.1909137261   3.0196171456
H    0.2214236041   3.3947906630   0.8733787352
H   -0.8869458827   3.9017975723   2.1213942421
H    0.5834230610  -4.2075015413   0.9488393732
H    4.4028611951  -2.7060879186   0.0204224723
H   -0.7247593076   3.1141442812  -1.2702698315
H   -3.1858917749   2.4191388697   2.1606004863
H    2.1756579671  -6.2309296277   0.0028122165
H   -2.6276187578   2.6229702114  -2.7386088521
H   -5.0889916438   1.9263819048   0.7026355486
*