! 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    1.1530470463   0.7144133368  -1.3284440187
N    0.7719912600  -2.0422911573  -0.4323442148
N    0.4525460431  -2.6409689463   0.7164451430
N   -1.2121024546  -2.8625496741  -0.7635930350
C    3.4161543049   0.7476019923  -0.4823387121
C    1.9919277283   0.1306548341  -0.3719644637
C    4.0711278849   0.2723350802   0.8232058399
C    1.6565899668   0.3796521710   1.0868058719
C    2.9452210450   0.2555362986   1.8694064613
C    2.0483949603  -1.3941312393  -0.6243293345
C    3.3084695622   2.2749283062  -0.4754077258
C    4.1984652772   0.3168380496  -1.7164396832
C    0.4917044941   0.6616832241   1.6657628676
C   -0.2322297994  -2.1797301895  -1.3050968062
C   -0.7428907959  -3.1169421281   0.4728553622
H    4.8980692251   0.9225623435   1.1119576971
H    4.4983103567  -0.7251423734   0.6957613654
H    3.0367013542   1.0754094837   2.5831401980
H    2.9583418908  -0.6656548064   2.4566757017
H    2.7602281341  -1.8976677895   0.0270682887
H    2.3568667429  -1.5767237608  -1.6532655692
H    2.8471052502   2.6567598482  -1.3859969160
H    2.7304633712   2.6539901558   0.3699218468
H    4.3061651667   2.7132969762  -0.4063491022
H    3.6799814536   0.5815976632  -2.6402019683
H    5.1676934984   0.8196465222  -1.7353135780
H    4.4029916628  -0.7547744259  -1.7389549052
H    0.2299930283   0.5267946121  -1.1277828037
H   -0.1931330174  -1.7966767545  -2.3131769246
H   -1.2951130065  -3.6736325379   1.2140595494
C   -0.8489464670   0.8006778512   1.0594180524
C   -3.4290777097   1.0335540666   0.0306237959
C   -1.1797513561   1.8341167052   0.1811829666
C   -1.8576044149  -0.0864311250   1.4380704495
C   -3.1392782543   0.0157291969   0.9252942049
C   -2.4607019096   1.9507905377  -0.3405927021
H   -0.4385311211   2.5749925333  -0.0882260133
H   -1.6368826489  -0.8769604341   2.1429155874
H   -3.9007178939  -0.6925807911   1.2223721138
H   -2.6956433785   2.7576475903  -1.0214167905
Cl  -5.0303885427   1.1688373846  -0.6185563242
H    0.5011961884   0.7590823025   2.7496939159
*