! 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   -0.3058822184  -2.5606119578  -0.5972237446
O    2.4959954536   2.9287442014  -0.1094752117
O    0.3943953521   3.6215228910   0.2219025663
N   -0.6745655943  -0.3369399746  -0.3265612214
N    1.4341786936  -1.1377421415  -0.9181492125
N   -1.4424523563   1.6624434885   0.1394409512
N    0.9131556705   1.4084030593  -0.2315083793
C    3.4520288381  -2.1741445987   0.0649872772
C    2.4705687283  -2.1348782790  -1.0999650560
C   -2.0631201997  -0.4592500627  -0.1454882891
C    2.8499394127  -2.5684356771   1.4090618819
C   -2.5314379459   0.8192121919   0.1463393984
C   -0.3193603402   0.9863456119  -0.1416293690
C    0.1776398766  -1.4429937011  -0.6160337855
C   -2.9479840364  -1.5251135223  -0.2164044665
C   -3.8648741328   1.0926838791   0.3807467328
C    2.3267028315  -3.9966001750   1.4573557445
C   -4.2918486187  -1.2572675587   0.0181847700
C   -4.7473801415   0.0248992959   0.3130784816
C    1.1840133516   2.7200354786  -0.0169765584
C    2.9570537459   4.2629033063   0.0812831253
H    3.9309404230  -1.1945438732   0.1526824470
H    4.2475570353  -2.8769441876  -0.1994072475
H    2.0067788725  -3.1052699414  -1.2620410020
H    3.0122831546  -1.8942792071  -2.0155855306
H    3.6190746763  -2.4439949944   2.1752502856
H    2.0504038227  -1.8723524547   1.6798526477
H    1.7128456927  -0.1641015611  -0.8098502290
H   -2.6294080832  -2.5280078915  -0.4426389217
H   -4.1996042601   2.0959355189   0.6054374064
H    1.4911583450  -4.1516331792   0.7743936880
H    3.1079785428  -4.7120387796   1.1928213903
H    1.9755157656  -4.2508300005   2.4582147750
H   -4.9988163098  -2.0740634226  -0.0314950166
H   -5.8006974060   0.1924208560   0.4911811565
H    2.7016899731   4.6426184940   1.0706058531
H    4.0386431618   4.2197343059  -0.0121710129
H    2.5624517554   4.9390702516  -0.6773317210
H   -1.4387730817   2.6574448946   0.3174324494
*