! 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    2.4586114057  -2.8357437355  -0.0857930603
O    2.3876466102  -1.1618851217  -1.5625231185
O    2.5110809351   0.7610714684   0.8108679905
O    0.2673989470   2.5790848886  -0.9502433366
N    0.9364012413  -1.2852005721   0.2374678459
N    0.4869104087   0.0056724219   0.1621291727
C    0.9532209883  -2.0113393058   1.4970593840
C   -0.9257741736   0.1787703357   0.0394113172
C    1.6802768136  -3.2664681577   1.0446582967
C   -1.6824897107   0.4521079030   1.1800720268
C   -1.5166907475   0.0341747861  -1.2227052358
C    1.9647859780  -1.6919474277  -0.5683202353
C    1.3726803147   1.0044006983   0.4598924734
C   -3.0622131233   0.6041582480   1.0320306954
C   -2.8913995551   0.1890984529  -1.3239663895
C   -1.1038128169   0.6019824356   2.5579785733
C   -0.7050528400  -0.2751210772  -2.4408766120
C   -3.6620409511   0.4743106975  -0.2045239709
C    0.8551128036   2.4217684945   0.3112683119
C   -0.8068580105   3.4918183830  -0.9631851359
H   -0.0523052291  -2.2294192599   1.8513341601
H    1.4990792951  -1.4661240408   2.2698669178
H    2.3497585038  -3.6719539558   1.7976804261
H    0.9880907720  -4.0417927103   0.7163046300
H   -3.6646792692   0.8206329177   1.9058400140
H   -3.3660854732   0.0898560150  -2.2921729777
H   -1.5880686643  -0.0896499229   3.2481594805
H   -0.0340856057   0.4196285587   2.6230405168
H   -1.2838243601   1.6072242449   2.9421333700
H    0.1845954556   0.3475574683  -2.5032559879
H   -0.3763905403  -1.3156505033  -2.4522861278
H   -1.2964542375  -0.1148730925  -3.3411748328
H   -4.7331655733   0.5940687382  -0.3020003840
H    1.7017545279   3.1016625027   0.4519982604
H    0.1487342353   2.6267418701   1.1267241701
H   -0.4910775569   4.5023029216  -0.6816865339
H   -1.6116151412   3.1806516448  -0.2881956867
H   -1.2000275616   3.5245539587  -1.9779417321
*