! 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    2.9473210197   2.3897102825   0.5739909957
O    1.0606747939   0.6070130825   0.9424106896
N    2.2302183644  -1.1707534223   0.0104007060
N    2.0491940836  -1.9199823717  -1.0826638653
N    2.6971620865  -3.1932208230   0.6457513025
C    4.5211097312   0.8993869213  -0.5732354270
C    3.3138851051   1.0427940182   0.3905750009
C    2.0390937829   0.2634033085  -0.0008806514
C    5.1075239601  -0.5161727482  -0.5649000743
C    4.1494518041   1.2781479619  -2.0088833993
C    5.6193684993   1.8465067609  -0.0738286330
C   -0.2602753429   0.4718953878   0.6425607931
C    2.6166442180  -1.9436358602   1.0294204697
C   -0.7584460847  -0.1292305831  -0.5068141693
C   -1.1449995072   0.9852537967   1.5876648071
C    2.3439830178  -3.1190395584  -0.6533576114
C   -3.0336515076   0.2997185353   0.2339187356
C   -2.1311468562  -0.2059997970  -0.6975772534
C   -2.5084713196   0.8982903096   1.3821774103
C   -4.4900327217   0.1971248450   0.0180257221
C   -5.0326223267   0.2974971322  -1.2651523120
C   -5.3609986467  -0.0116097239   1.0895933107
C   -6.3995543462   0.1868373900  -1.4709979220
C   -6.7285886877  -0.1183868676   0.8843370697
C   -7.2544842114  -0.0218209572  -0.3969891319
H    3.6358042218   0.6883384677   1.3770381115
H    1.7279608020   0.5281816998  -1.0152834235
H    4.4910448293  -1.2449638106  -1.0887164236
H    6.0711778108  -0.5083137672  -1.0775515264
H    5.2874181836  -0.8777108987   0.4497976077
H    3.4228588382   0.5927559103  -2.4488836717
H    5.0371926618   1.2484025761  -2.6426146378
H    3.7458089129   2.2906841301  -2.0921015086
H    5.3347400160   2.8961493164  -0.1368529307
H    6.5192503829   1.7171417849  -0.6770982976
H    5.8886658385   1.6342206424   0.9634920747
H    2.7973829139   2.7990135811  -0.2857341689
H    2.8209256088  -1.5693106720   2.0199223790
H   -0.1135176256  -0.5623686696  -1.2580401145
H   -0.7581541823   1.4639923438   2.4781627204
H    2.2980398511  -3.9790008104  -1.3023473313
H   -2.4944152740  -0.6996798652  -1.5898173455
H   -3.1711769582   1.3261930105   2.1234753525
H   -4.3838397389   0.4808258103  -2.1125970256
H   -4.9686380621  -0.1130699871   2.0937894880
H   -6.7975731454   0.2716578887  -2.4737128236
H   -7.3842653492  -0.2866862930   1.7286383868
H   -8.3210120680  -0.1083616202  -0.5572456469
*