! 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   -4.5875241489   0.5043260765  -0.1894725681
O   -1.2678532150  -0.7472530018  -0.4914813051
N   -2.1414097086   1.3751133504  -0.8274170476
N   -2.0971244556   2.5914662270  -0.2786290640
N   -2.1431574655   2.7379587777  -2.5161400082
C   -3.9411169466  -1.4443798424   1.0376838062
C   -3.6003353820  -0.4962509295  -0.1326316963
C   -2.2082713247   0.1703454402  -0.0204588159
C   -5.2607283188  -2.1449626802   0.6996829827
C   -2.8685269583  -2.5203271384   1.2209379105
C   -4.1063992932  -0.6769585206   2.3512330143
C    0.0578674235  -0.5662254872  -0.2404368819
C   -2.1761469760   1.4774901437  -2.1583402740
C    0.8993393437  -1.5584717999  -0.7353087903
C    0.5969212020   0.5096327756   0.4535183316
C   -2.0998081216   3.3712511148  -1.3278539171
C    2.8334111451  -0.3873106813   0.1339084079
C    2.2648500002  -1.4657780021  -0.5489955373
C    1.9717345614   0.5859459890   0.6320155395
C    4.2950976750  -0.2736355487   0.3042116848
C    4.8439367500   0.2752594535   1.4651415455
C    5.1651422499  -0.7010288583  -0.7011494261
C    6.2174649247   0.3981268069   1.6131174387
C    6.5387437892  -0.5809874095  -0.5520399608
C    7.0715548326  -0.0287662999   0.6050016055
H   -3.5944684110  -1.0892296315  -1.0581193797
H   -2.0070122419   0.4889009057   1.0062893983
H   -6.0897215437  -1.4438771187   0.6069840526
H   -5.1862653972  -2.7033035042  -0.2365634770
H   -5.5201316804  -2.8581690638   1.4843536802
H   -1.9217375894  -2.1241264108   1.5889797421
H   -2.6716191660  -3.0660378131   0.2965228097
H   -3.2126786138  -3.2468746228   1.9595727252
H   -3.1963470867  -0.1521859776   2.6503031393
H   -4.3438005117  -1.3745855480   3.1568525094
H   -4.9149388129   0.0525374178   2.3071480520
H   -4.7000951664   0.7871998307  -1.1017399990
H   -2.2132391837   0.6290497656  -2.8236075185
H    0.4787606730  -2.4053715057  -1.2622316135
H   -0.0143031547   1.3091999851   0.8477004935
H   -2.0594591776   4.4445514226  -1.2330069168
H    2.8938246269  -2.2596613525  -0.9309368347
H    2.3700565123   1.4477873689   1.1520066765
H    4.1947605409   0.5954225333   2.2705160827
H    4.7677949882  -1.1119800379  -1.6208623306
H    6.6214052711   0.8230204228   2.5227259320
H    7.1935595912  -0.9113184838  -1.3477153617
H    8.1430225389   0.0682954438   0.7198811772
*