! 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    1.9016763031   1.7220624706   0.9201099963
O   -2.5571598257   1.6227999120  -0.8213171487
O    0.0765535911  -0.1793208223   1.6002921474
O    3.9543776225  -1.6144580802  -1.4337133564
O   -6.0462514622  -1.1551699794  -0.1432742361
O    5.2085359753  -0.6011815802   2.9206015731
O   -1.8302653384  -2.8784849463  -1.0511798604
O   -1.7639958144   1.0563875980   1.8514494806
N    2.8813200619   0.0537358011  -0.2946785049
N   -4.2866168311   0.2671820519  -0.4883619066
N    3.5240173846   0.5804701519   1.9169766959
N   -2.1484975809  -0.6164160728  -0.9658178861
C   -0.2985442883   1.5329508381   0.0463248444
C    1.0212349485   1.9419735228  -0.1140829678
C   -1.2149317951   1.8908952172  -0.9457977168
C    1.4319695148   2.6650878560  -1.2196460808
C   -0.8181955078   2.5871204567  -2.0698791133
C    0.5068274833   2.9779038067  -2.1986596933
C   -0.7463671960   0.7927922596   1.2561282970
C    2.8040363171   0.7279580100   0.8261984726
C   -3.0020311928   0.3545834563  -0.7516658953
C    3.8099709967  -0.8939435215  -0.3308366345
C   -4.7630184017  -0.9690499326  -0.4086034242
C    4.4411122221  -0.3763254297   1.8644739954
C   -2.6400476231  -1.8468650779  -0.8698320026
C    4.6448065271  -1.1675016682   0.7412602345
C   -3.9728737065  -2.0980755088  -0.5864186109
C    3.1018125043  -1.3459064050  -2.5432423829
C   -6.8852723123  -0.0193747491   0.0510682828
C    4.9977249943   0.1639395981   4.1042726125
C   -0.4614253180  -2.6212148954  -1.3586127644
H    2.4600658708   2.9888220730  -1.3047866313
H   -1.5452648339   2.8375428457  -2.8303595171
H    0.8163327078   3.5370342543  -3.0705303580
H    5.3981410015  -1.9406512230   0.7074538572
H   -4.3700365927  -3.0993745346  -0.5082304420
H   -0.2379132075  -0.6113545288   2.4105960907
H    3.1963331897  -0.3176113154  -2.8893858754
H    3.4220150490  -2.0219850913  -3.3310144568
H    2.0567876669  -1.5443127586  -2.3051551217
H   -7.8724370498  -0.4186649998   0.2664085501
H   -6.5543922518   0.5885261615   0.8923646590
H   -6.9381711543   0.6009571697  -0.8430606290
H    5.1672898184   1.2268302836   3.9358704515
H    3.9952131388   0.0180313333   4.5053312649
H    5.7251901972  -0.2027452569   4.8231907378
H   -0.3601756039  -2.1236308622  -2.3231149106
H    0.0149334467  -2.0176448888  -0.5874657992
H    0.0179822577  -3.5951021617  -1.4051904099
*