! 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    1.8630618319   1.5930529805   0.4008215504
O   -1.7384181394  -0.6895854831  -1.8392152195
O   -0.0706734556   0.2225812877   1.6872244519
O    4.7097243807  -1.7927759437  -0.7443162520
O   -5.7322340976  -2.3720111163  -0.5900602603
O    5.2753099970   0.6130052593   3.1827143261
O   -4.2412074966   1.6459738621   1.1895025797
O   -0.4744405672  -1.6104084942   0.4830566315
N    3.2392620339  -0.1219150580  -0.2100522162
N   -3.6970490168  -1.5350673977  -1.2221640087
N    3.5330009067   1.1134032103   1.7844111851
N   -2.9492361680   0.5196999631  -0.3267879073
C    0.0578471671   0.4062296627  -0.6479438791
C    1.0886474555   1.3420262775  -0.7079272619
C   -0.7328233792   0.2456927174  -1.7880901039
C    1.3384109054   2.0772816515  -1.8517506928
C   -0.5115552433   0.9870699510  -2.9321733961
C    0.5330778131   1.8973722718  -2.9623512479
C   -0.1903955172  -0.4385938598   0.5504892417
C    2.9257774335   0.8099039929   0.6579203623
C   -2.8409967853  -0.5477687901  -1.0801122542
C    4.3173397503  -0.8400429387   0.0873593461
C   -4.8082817805  -1.4277840230  -0.5047589378
C    4.6017874544   0.3805659373   2.0665665789
C   -4.0628748407   0.6035171884   0.3935106070
C    5.0619655368  -0.6342866855   1.2375933999
C   -5.0584935162  -0.3591484269   0.3463087881
C    3.9851323490  -1.9934551824  -1.9544466648
C   -5.5241036461  -3.4672421199  -1.4771572333
C    4.8111811034   1.6250314416   4.0725821016
C   -3.2266835481   2.6450631007   1.2533879232
H    2.1556778734   2.7853914198  -1.8666189194
H   -1.1509948665   0.8479892375  -3.7931350198
H    0.7176059299   2.4728441784  -3.8585491547
H    5.9376289586  -1.2213469570   1.4723147874
H   -5.9651557399  -0.2819600180   0.9281340203
H   -0.2130034471  -0.3788433924   2.4355457610
H    4.5183923441  -2.7751786144  -2.4886718620
H    2.9638208456  -2.3218741243  -1.7636254386
H    3.9625665510  -1.0927501989  -2.5668958756
H   -5.4246306936  -3.1364438461  -2.5105116619
H   -4.6477119322  -4.0521488500  -1.2000053386
H   -6.4102732309  -4.0893624341  -1.3869276658
H    3.8137301856   1.4017805092   4.4502525261
H    5.5131631979   1.6298210007   4.9017705802
H    4.8069689830   2.6077467642   3.6023337629
H   -3.5591059011   3.3518684545   2.0086906119
H   -2.2648416259   2.2274363958   1.5488367323
H   -3.1150271831   3.1649154185   0.3020274527
*