! 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  -4.3941996734   2.3799171139  -2.9244503173
O    2.0592969059   1.4752755325   0.5191835264
O    1.7054824109  -2.4186665101  -1.5549056003
N    2.1334727145  -0.6726471491  -0.1696709932
N    1.2943976165  -2.7146131459   0.6524278558
N    0.0408735087  -4.1607830478   1.7393577067
C    1.7545865292   0.1884617613   1.0006972724
C    2.7671504000   0.1502989311  -1.2284608894
C    3.1289377330   1.3669906747  -0.3859021775
C    0.2512758542   0.1472727089   1.2710809236
C    2.5903320536  -0.0938032205   2.2450425469
C    4.0170108042  -0.4900356858  -1.8104036422
C    1.7751491055   0.5457313269  -2.3212438732
C   -0.2433398463   1.2284902617   2.2256520733
C    1.7207807790  -1.9151262571  -0.4520161945
C   -1.7694202857   1.2085490865   2.3694460106
C   -2.4730255314   1.5000845451   1.0734247648
C    2.0572750903  -3.1816218315   1.6965511722
C    0.0991812888  -3.3628171916   0.7147707368
C   -3.0885050036   0.4920929209   0.3375599844
C   -2.4749767875   2.7901524093   0.5463894559
C    1.2615107773  -4.0680159412   2.3526913654
C   -3.6834031314   0.7509072170  -0.8896749874
C   -3.0626109799   3.0702223917  -0.6769248294
C   -3.6616604603   2.0420587923  -1.3886142228
H    4.0885803901   1.2274356860   0.1294694280
H    3.1897604667   2.2826272255  -0.9741774743
H   -0.0194879564  -0.8232551524   1.6892304772
H   -0.2658832100   0.2372159904   0.3117801614
H    2.5435355495   0.7668350290   2.9127671758
H    3.6387674527  -0.2674496825   2.0014105184
H    2.2244883521  -0.9526935573   2.8024719454
H    4.6815778532  -0.8512347392  -1.0242587846
H    4.5639855165   0.2580744117  -2.3874128448
H    3.7917311448  -1.3168715103  -2.4802890163
H    0.9128962790   1.0728055976  -1.9099234178
H    2.2628078009   1.2154543591  -3.0316523241
H    1.4142952502  -0.3163652362  -2.8774962257
H    0.1941287650   1.0864798519   3.2168028937
H    0.0686588233   2.2173836690   1.8833503030
H   -2.0567491197   1.9493728817   3.1195058381
H   -2.0892774965   0.2370114878   2.7548760633
H    3.0791328800  -2.8814742039   1.8509327374
H   -0.6865388746  -3.1851774681  -0.0033513382
H   -3.1048217538  -0.5213476299   0.7208780708
H   -2.0082676510   3.5986775131   1.0970212227
H    1.5067173970  -4.6473763667   3.2289617934
H   -4.1528763531  -0.0492521857  -1.4461936991
H   -3.0523114873   4.0789030721  -1.0678305920
*