! 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    3.4599534802  -0.0054800473   0.5733099642
O    1.3338057817   1.9731327875   0.4214274726
O    3.8581815394   1.1839437360  -1.2716150732
N    0.7855146523  -0.1292715633  -0.1290880801
C    1.8351216998  -0.0984662480  -1.1498604038
C   -0.1423203343  -1.2127916238  -0.0840034836
C   -1.1582181532  -1.2735875183  -1.0436852716
C   -0.0099242709  -2.1922389782   0.9057443067
C    0.6002160589   1.0083829482   0.5872254300
C   -0.5515492857   1.0705671459   1.5705083460
C    2.1315262859  -1.4786831462  -1.7265867491
C    3.1409003853   0.4702472244  -0.6163262737
C   -2.0593259211  -2.3319690641  -0.9866975406
C   -0.9387764100  -3.2284605709   0.9362504732
C   -1.8273586793   1.4869906591   0.8805685506
C   -1.2886391920  -0.2377442748  -2.1182806452
C    1.0815221848  -2.1365534174   1.9313301742
C   -1.9559036470  -3.2993994728  -0.0016405696
C   -1.9209706242   2.7292010921   0.2554947894
C   -2.9213379888   0.6296475396   0.8369973171
C   -3.0819318829   3.0995742250  -0.4072728792
C   -4.0834315458   0.9982216287   0.1736994964
C   -4.1658424049   2.2325413687  -0.4544069180
C    4.6901271012   0.4338874327   1.1453163669
H    1.5349140145   0.5645498916  -1.9665510229
H   -0.2765454180   1.8065652160   2.3276595461
H   -0.7053094912   0.1220622427   2.0827436744
H    2.9494274756  -1.3993035085  -2.4429806248
H    2.4236099314  -2.1939143426  -0.9583206900
H    1.2769413289  -1.8849962727  -2.2646233484
H   -2.8563944136  -2.3895453782  -1.7177929311
H   -0.8571364528  -3.9920246975   1.7002494761
H   -0.5319108188  -0.3651857190  -2.8966825946
H   -2.2594345336  -0.3096958108  -2.6063660839
H   -1.1912403027   0.7778401633  -1.7348351292
H    2.0541213666  -1.9247921902   1.4920162465
H    0.8993268342  -1.3614975641   2.6800253636
H    1.1543759905  -3.0829224775   2.4655876403
H   -2.6686910253  -4.1134235808   0.0343653733
H   -1.0816467534   3.4138312646   0.2844085699
H   -2.8648728819  -0.3384835810   1.3200196223
H   -3.1396104251   4.0678624858  -0.8881068917
H   -4.9243909719   0.3169677251   0.1460774170
H   -5.0710204101   2.5202750676  -0.9738101372
H    4.7143109577   1.5180931555   1.2571423915
H    5.5457101810   0.1119899812   0.5511005579
H    4.7443166836  -0.0266586002   2.1280190859
*