! 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 "WATER"
end
*xyz 0 1
O    0.1309454824  -0.8792575895   1.0158944917
O   -1.6068156075  -0.3981812930  -1.8175615349
O   -1.1613253469  -0.3408541705   2.7557512501
O   -0.1769758800   2.7726221312  -1.9036400226
N   -0.5440814863   1.6484487017   0.0361848772
N    1.6245396037   2.2639145829  -0.6275947498
N    3.6893662562   1.5605552413  -0.3263152494
C   -0.1634850138   1.4147736487   1.4267951735
C   -0.7857008052   2.4294734861   2.3815993383
C   -1.9575577010   1.4566520648  -0.2898251901
C   -0.4756765546  -0.0271616200   1.8152689317
C    0.2303847511   2.2519351368  -0.8862267276
C   -0.4437840394   3.8595678953   1.9951831547
C   -2.2515063827   0.0676245707  -0.7218443594
C   -0.0926470641  -2.2839495176   1.2145859690
C    0.6617057234  -3.0273670918   0.1366773802
C   -3.0777312898  -0.8859945884  -0.2313497711
C    0.3476545727  -4.5216832038   0.1929231761
C    2.4382912686   3.3567189342  -0.8229492135
C    2.4389752760   1.2079552852  -0.3403332382
C   -2.9292327475  -2.0237009364  -1.0838382630
C   -2.0220791785  -1.6710812651  -2.0214524215
C    3.6995439511   2.9032931013  -0.6123360289
C    1.0503826537  -5.2790192385  -0.8868794470
C    1.9268000304  -6.2559148616  -0.6865597552
H    0.9183567750   1.5185396640   1.5200059193
H   -1.8682627386   2.3063920457   2.4489626344
H   -0.3937540142   2.2180851545   3.3776228928
H   -2.2524790005   2.1762870366  -1.0521021394
H   -2.5663849858   1.6807018127   0.5852498425
H   -0.8007674883   4.5515130976   2.7572427043
H    0.6345040541   4.0054058852   1.9026639043
H   -0.9061882019   4.1567670212   1.0525875562
H   -1.1634408249  -2.4906849398   1.1518913672
H    0.2548122767  -2.5733746151   2.2088518153
H    1.7366104922  -2.8696810026   0.2546266967
H    0.3810988363  -2.6335899831  -0.8438247737
H   -3.7097094697  -0.7946042755   0.6374063930
H   -0.7337572003  -4.6551144623   0.0790794782
H    0.6155489575  -4.9286948145   1.1713397660
H    2.0519658661   4.3322855205  -1.0640809291
H    2.0619325134   0.2094371110  -0.1871138613
H   -3.4269884132  -2.9758622593  -1.0001624276
H   -1.5947510653  -2.1900145347  -2.8641470567
H    4.6157843291   3.4696720873  -0.6502074724
H    0.8145153687  -4.9827288235  -1.9059036515
H    2.4053363340  -6.7655571719  -1.5130563076
H    2.1967908112  -6.5862696233   0.3102164220
*