! 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    0.0109062904  -1.1011824795  -0.4747572875
O   -3.5582125211   0.2515977135   0.3315299230
O   -1.1744761369  -1.5920906636   1.3662770622
O    0.0361427742   1.8011355602  -2.2173366617
N   -0.4466107423   1.5392178693  -0.0045210302
N    1.7604132553   1.4248943732  -0.8017037075
N    3.8227599283   0.7216896209  -1.1270473398
C   -0.2000686121   0.6107578403   1.1005684759
C   -0.8558244261   1.0302325148   2.4075268318
C   -1.8490498984   1.8785822686  -0.2573557459
C   -0.5440061693  -0.8207774032   0.6894406467
C    0.3832387518   1.5869632108  -1.0762284427
C   -0.4159603835   2.4115104086   2.8646221322
C   -2.6965541605   0.7064420399  -0.6140514874
C   -0.0721853783  -2.4215285680  -1.0266306848
C    1.2789700992  -3.1021456792  -0.9818179405
C   -2.7653320334  -0.0909276517  -1.7088686040
C    1.8518978696  -3.3222578171   0.4197546831
C    2.5027631441   1.8919551898   0.2622933047
C    2.6136903937   0.7274510272  -1.6025366216
C   -3.7188403111  -1.1078920682  -1.4111308433
C   -4.1648936051  -0.8475799521  -0.1603924249
C    3.7651280957   1.4504189683   0.0361243061
C    2.4014165947  -2.0840288285   1.0563758329
C    2.1407677653  -1.6628835916   2.2891456011
H    0.8736050326   0.5778363040   1.2932329044
H   -1.9432605602   0.9736414432   2.3511168492
H   -0.5587798200   0.2970927061   3.1591674728
H   -1.8806980135   2.6256370283  -1.0464742588
H   -2.2485301479   2.3651038839   0.6321077987
H   -0.8625379186   2.6494786033   3.8293844176
H    0.6672668636   2.4651716961   2.9871227325
H   -0.7106040499   3.1986879717   2.1698315026
H   -0.3981053230  -2.2953673222  -2.0590341351
H   -0.8280459269  -3.0076994325  -0.5046820959
H    1.9962071548  -2.5429957052  -1.5900856502
H    1.1512437227  -4.0687721516  -1.4743401627
H   -2.1901171409   0.0209584033  -2.6133332862
H    2.6728876056  -4.0401391239   0.3255175350
H    1.1076129873  -3.7906495110   1.0694699003
H    2.0935223587   2.5236801911   1.0322253766
H    2.2873031592   0.2430605844  -2.5087074662
H   -4.0303380607  -1.9212983003  -2.0458226443
H   -4.8889205013  -1.3284876967   0.4772594844
H    4.6394596322   1.6275491510   0.6411210836
H    3.0923351458  -1.5093514837   0.4445490969
H    2.6084319959  -0.7708362409   2.6876611422
H    1.4592793638  -2.1916039009   2.9457625814
*