! 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   -0.2957395235  -1.5424166933  -0.7189544304
O   -0.7393121435  -0.3769868556   1.1624705534
O    5.3507198503   1.8063646315   0.0950061525
O    3.1866178656   1.8274487528  -0.5121517274
N   -2.2426480161  -0.5260356727  -0.5610796873
N    4.2392261283  -0.0897094459   0.1737157863
C   -3.3276505489   0.2323757205  -0.1048750902
C   -5.6296859897   0.8820708392  -0.5322426537
C   -4.4955513466   0.1569801955  -0.8675091960
C    3.2256959295  -1.0442798411   0.1110901982
C    0.9936389253  -1.8028853436  -0.2844575653
C   -3.2960211764   1.0537082982   1.0184443646
C   -5.5907350528   1.6979817106   0.5985316547
C    1.9176431444  -0.7703987630  -0.2794314984
C   -4.4346845561   1.7755530545   1.3547238116
C   -6.8693251877   0.8010914072  -1.3715094726
C    3.5713865646  -2.3500638646   0.4723135469
C    1.3147206002  -3.0969421124   0.0717172678
C    2.6269840780  -3.3581216911   0.4456439986
C   -1.0757246026  -0.7641584633   0.0694753116
C    4.1665518220   1.2335068807  -0.1165828750
C    5.4403753822   3.2065264636  -0.1641285545
H   -4.5149136806  -0.4830167583  -1.7432354232
H   -2.4121519323   1.1482066014   1.6271819279
H   -6.4644398410   2.2715452069   0.8828955239
H    1.6133133201   0.2182241279  -0.5833596939
H   -4.4068386783   2.4133456880   2.2287108836
H   -2.3663424916  -0.9716710137  -1.4592865767
H    4.5875355865  -2.5735623438   0.7734021277
H    0.5690894448  -3.8799553579   0.0520725915
H   -7.7469417719   0.5857454830  -0.7611880044
H   -7.0599061262   1.7475588846  -1.8804004449
H   -6.7923606061   0.0266780796  -2.1332380319
H    2.9148890412  -4.3619930055   0.7264182668
H    5.1363280960  -0.4280913713   0.4910799084
H    6.4631273459   3.4852535272   0.0719585529
H    4.7605633254   3.7760861433   0.4689014264
H    5.2409742364   3.4346906234  -1.2108268677
*