! 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    3.2886921439   2.1659190101   1.1779837365
O    1.1503030388   0.6286766165   1.1686886150
N    2.0122324666  -0.9555158778  -0.2887419190
N    1.5722077107  -1.3309092941  -1.4946331842
N    2.1134530826  -3.1241378149  -0.2592776473
C    4.5581314239   0.9529087280  -0.4366985267
C    3.4368793942   0.8803227470   0.6241179470
C    2.0566118072   0.4324553309   0.1063524576
C    4.8844772856  -0.4268401586  -1.0163738355
C    4.1991241545   1.9045005779  -1.5796885152
C    5.8227193396   1.4642053530   0.2638255997
C   -0.1815186083   0.4928592307   0.8615808380
C    2.3212866744  -2.0342484932   0.4361422848
C   -0.8052405759   1.3510567902  -0.0333676350
C   -0.9055871046  -0.5054643506   1.4936490294
C    1.6594177404  -2.6332041202  -1.4299117895
C   -2.9115493743   0.2117012107   0.3402682223
C   -2.1578922679   1.2040273103  -0.2895155352
C   -2.2617012405  -0.6359038300   1.2375467607
C   -4.3558776353   0.0701209584   0.0679953273
C   -5.1553512622   1.1943883011  -0.1478817488
C   -4.9557727385  -1.1897020614   0.0203627016
C   -6.5120342266   1.0631180009  -0.4036881957
C   -6.3127906930  -1.3209517315  -0.2344818234
C   -7.0970630213  -0.1952504126  -0.4478315550
H    3.7583622806   0.1643256536   1.3968559610
H    1.7682774745   1.0087591009  -0.7762281119
H    5.0623194220  -1.1700210315  -0.2357934587
H    4.1137325888  -0.8078487802  -1.6849271684
H    5.7990985736  -0.3596099728  -1.6082575163
H    5.0474266746   2.0007826486  -2.2600007728
H    3.9531450138   2.9055155460  -1.2244421993
H    3.3586318203   1.5433908203  -2.1759363293
H    5.7153882920   2.4817337799   0.6368146799
H    6.6600656557   1.4607178902  -0.4361802528
H    6.0995781815   0.8241810745   1.1053693783
H    2.6875378593   2.1111248964   1.9286053788
H    2.6863138877  -1.9894271059   1.4499813982
H   -0.2481515802   2.1356639555  -0.5299782527
H   -0.4158721380  -1.1676063876   2.1962306017
H    1.3791326173  -3.2593419760  -2.2618415189
H   -2.6265402243   1.8695792468  -1.0028783480
H   -2.8183225107  -1.4039022492   1.7591993530
H   -4.7204186198   2.1847125601  -0.0972217098
H   -4.3560795307  -2.0797590862   0.1639843685
H   -7.1143686132   1.9481409127  -0.5613900522
H   -6.7562998001  -2.3071925621  -0.2736734255
H   -8.1555381334  -0.2977232301  -0.6471349781
*