! 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    3.9201141833   0.2351963383   1.3660671395
O    1.3362666469   0.4871367384   0.5072161004
N    2.1531581223  -1.5968301216  -0.1577110872
N    2.4126904002  -2.1702752818   1.0240459840
N    1.9581803664  -3.7294401986  -0.5201064309
C    3.9915667331   1.7630447718  -0.4868193907
C    3.6577241102   0.3332067779  -0.0109022961
C    2.2373019646  -0.1562278331  -0.3387318293
C    3.7235122369   1.8799468968  -1.9881289178
C    3.2158528809   2.8546535853   0.2520924006
C    5.4911118930   1.9809820983  -0.2512800273
C   -0.0052515907   0.3990735534   0.3069498601
C    1.8867321921  -2.5395205032  -1.0632227284
C   -0.6161425666  -0.2099158367  -0.7820135825
C   -0.7913642472   0.9908294200   1.2923666643
C    2.2793668329  -3.4429518975   0.7553888010
C   -2.8051647362   0.3362482623   0.1184067702
C   -2.0023860748  -0.2400725308  -0.8611177642
C   -2.1685474341   0.9622813928   1.1928718270
C   -4.2775234255   0.2838663837   0.0324897542
C   -4.9267732422  -0.8719250553  -0.4054115091
C   -5.0547480229   1.3851401366   0.3962318262
C   -6.3111623933  -0.9259474127  -0.4741753085
C   -6.4389409182   1.3316788895   0.3257821358
C   -7.0734445825   0.1753855424  -0.1083279343
H    4.3164316368  -0.3357875274  -0.5866700096
H    2.0221340659   0.0178850813  -1.3969104012
H    4.2148491496   1.0845562941  -2.5536345279
H    2.6594911697   1.8573449857  -2.2320648528
H    4.1085935701   2.8300225011  -2.3624501405
H    2.1510839873   2.8441050319   0.0230386581
H    3.5975850648   3.8333075851  -0.0464410551
H    3.3293075916   2.7819491567   1.3335768872
H    5.7499093468   1.9711290226   0.8075242116
H    5.7963940769   2.9497744926  -0.6518587080
H    6.0909723024   1.2162651678  -0.7512137489
H    3.7236021676  -0.6678399472   1.6552780967
H    1.6625214925  -2.3199620902  -2.0953728853
H   -0.0536442909  -0.6533770981  -1.5906490110
H   -0.3171341371   1.4652048521   2.1419031406
H    2.4248082722  -4.1975829217   1.5118066002
H   -2.4554998421  -0.7124158639  -1.7234357840
H   -2.7555188331   1.4149944474   1.9818571741
H   -4.3474385281  -1.7465272700  -0.6743484179
H   -4.5751730927   2.3002318374   0.7210067088
H   -6.7950657127  -1.8347947371  -0.8071940660
H   -7.0225750072   2.1987225994   0.6062083299
H   -8.1533294890   0.1328503720  -0.1602459526
*