! 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
O   -0.0636679123  -1.0591973606   1.1943158973
O   -1.7146245923  -0.4411408455  -1.8346620113
O   -1.5223047314  -0.4076929897   2.7551283195
O    0.1000875746   2.4917378333  -1.8342037942
N   -0.5223701104   1.5046327448   0.1121924639
N    1.7461148155   1.9009186252  -0.3940712876
N    3.7253446362   1.0446061646   0.0520681282
C   -0.2736295174   1.2594289440   1.5288121758
C   -0.8996991039   2.3175532866   2.4339935338
C   -1.9185608877   1.4444101314  -0.3204973333
C   -0.7147560135  -0.1551262463   1.8996800179
C    0.3785708238   1.9904800778  -0.7682602716
C   -0.4377071659   3.7223179518   2.0822059207
C   -2.3304144164   0.0865780845  -0.7551752943
C   -0.3104271035  -2.4496477333   1.4615416063
C    0.7555673158  -3.2596140602   0.7606933693
C   -3.2696671712  -0.7734167636  -0.2931056148
C    0.7184824117  -3.1705602103  -0.7653031826
C    2.6639145634   2.9027275346  -0.6146496801
C    2.4530791357   0.7974220960  -0.0080066275
C   -3.2279940246  -1.9119039420  -1.1547418253
C   -2.2620974751  -1.6526460551  -2.0645303009
C    3.8701355980   2.3581031392  -0.3124586410
C    1.8562049065  -3.9143180109  -1.3873117134
C    1.7367123106  -4.9734063501  -2.1786094173
H    0.8018338581   1.2955182030   1.7055900216
H   -1.9900254010   2.2658613964   2.4225864977
H   -0.6005917673   2.0824228609   3.4570414230
H   -2.0788682517   2.1723720549  -1.1149195043
H   -2.5647588818   1.7492299348   0.5015976124
H    0.6517730174   3.7995485920   2.0725842492
H   -0.8056642003   4.0507874968   1.1089443246
H   -0.8061021315   4.4363518008   2.8186517150
H   -1.3104559245  -2.7097178862   1.1060761980
H   -0.2722476125  -2.6291725314   2.5375465317
H    0.6128298107  -4.3002422500   1.0628324320
H    1.7397229641  -2.9666766582   1.1391700171
H   -3.9145009313  -0.6172228509   0.5570023485
H    0.7647513550  -2.1224677643  -1.0777174832
H   -0.2338115892  -3.5632816160  -1.1304362661
H    2.3768492560   3.8895748967  -0.9357602128
H    1.9806468812  -0.1501901829   0.1942957477
H   -3.8342570532  -2.8013383057  -1.0972210363
H   -1.8759176389  -2.2075382772  -2.9044423180
H    4.8351729408   2.8390687595  -0.3352305968
H    2.8511633151  -3.5462965567  -1.1480633378
H    2.6049752826  -5.4728609754  -2.5900928643
H    0.7690338064  -5.3837199724  -2.4456610656
*