! 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  -6.4095337431   4.7452588056   0.5055478134
O    1.8048503981   1.0475111383   0.1601891387
O    1.3222830100  -2.9273589144   1.1835718640
N    2.3104643819  -1.1523046448   0.1693645560
N    3.1310010075  -3.3298325041  -0.1260615328
N    4.0555568749  -4.6592018930  -1.6158851520
C    1.2761794928  -0.1728474982   0.6193580602
C    3.4995376735  -0.4396089873  -0.3710382945
C    3.2044225715   0.9469093556   0.2020614682
C   -0.0505440907  -0.4056634812  -0.0993024456
C    1.1363970194  -0.1367555602   2.1403857331
C    4.8384596207  -0.9354236001   0.1551936555
C    3.4939935360  -0.3773918317  -1.8951280603
C   -1.0993549896   0.6670722990   0.1754897789
C    2.1782962616  -2.4476336557   0.4705896587
C   -2.3646698455   0.4365834561  -0.6535599382
C   -3.3996010329   1.4925054751  -0.3906171923
C    3.9619867487  -4.1724262181   0.5699518740
C    3.2126602869  -3.6841814351  -1.4364783462
C   -4.3605172845   1.3248563762   0.6029320856
C   -3.3910067036   2.6917922849  -1.0988020871
C    4.5382042795  -4.9659413951  -0.3725718226
C   -5.2886182766   2.3163496588   0.8858634507
C   -4.3093914381   3.6959344172  -0.8315608611
C   -5.2534743163   3.4979070747   0.1633277231
H    3.5912949832   1.0432030142   1.2251261974
H    3.6378792335   1.7465599178  -0.3985414789
H   -0.4498283336  -1.3784299664   0.1921089473
H    0.1489456888  -0.4530990810  -1.1743430137
H    0.5653466150  -0.9788074005   2.5216242377
H    0.6208099382   0.7779456577   2.4333577247
H    2.1079662067  -0.1390628280   2.6367364088
H    4.8101177341  -1.1261907597   1.2286610595
H    5.5848664485  -0.1573803680  -0.0171034181
H    5.1970727806  -1.8297235504  -0.3505000796
H    4.2806501960   0.2971408786  -2.2365567906
H    3.6918224992  -1.3464174949  -2.3478278223
H    2.5448785334  -0.0070701085  -2.2837450395
H   -1.3700178532   0.6737506743   1.2346993916
H   -0.7009960498   1.6589388801  -0.0519163014
H   -2.7741935708  -0.5509139848  -0.4253737168
H   -2.1051123249   0.4296736602  -1.7156125289
H    4.0837272945  -4.1106176399   1.6383153545
H    2.6045035550  -3.2204592372  -2.1968638979
H   -4.3930395041   0.4020391497   1.1700343629
H   -2.6568237604   2.8506783136  -1.8799699141
H    5.2757520430  -5.7385442832  -0.2214449854
H   -6.0291958458   2.1638946802   1.6595733652
H   -4.2872827992   4.6185207947  -1.3960697859
*