! 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    3.9962029129   0.1479577984   1.3053518792
O    1.3671144061   0.4329075262   0.5632393885
N    2.1971257004  -1.6367950554  -0.0838493529
N    2.2427330142  -2.5004849504  -1.1029024530
N    2.1374060978  -3.5916293283   0.8545958872
C    3.9379191460   1.7672803028  -0.5656391063
C    3.6598950233   0.3356280321  -0.0482837420
C    2.2468685025  -0.2003969759  -0.3123414435
C    3.6516284499   1.8267014198  -2.0671981125
C    3.1272422431   2.8529198994   0.1457486029
C    5.4281776629   2.0486917349  -0.3466104416
C    0.0222443800   0.3514202147   0.3686816232
C    2.1383326511  -2.2982701463   1.0736583886
C   -0.7582117490   1.0680393755   1.2707676254
C   -0.5879220834  -0.3777303480  -0.6439705938
C    2.2073937606  -3.6542517085  -0.4888306613
C   -2.7739348743   0.3233013241   0.1533177254
C   -2.1354161214   1.0524768495   1.1594463527
C   -1.9728391611  -0.3832520260  -0.7393286763
C   -4.2454442950   0.2975400477   0.0421808619
C   -4.9129600829  -0.8739749060  -0.3215730745
C   -5.0046260490   1.4413235217   0.2976993832
C   -6.2954806744  -0.9006176070  -0.4289082779
C   -6.3874464409   1.4144288029   0.1912444721
C   -7.0393633261   0.2436392716  -0.1730785214
H    4.3251713919  -0.3253006487  -0.6145863573
H    1.9748752649  -0.0556798602  -1.3610194949
H    2.5871806329   1.7564707822  -2.2981715140
H    3.9991230613   2.7764500688  -2.4770389126
H    4.1662029387   1.0304020485  -2.6104293057
H    3.4637548286   3.8345598683  -0.1926866586
H    3.2614422044   2.8370239698   1.2297319704
H    2.0596832433   2.7923956705  -0.0615087388
H    5.6972710969   2.0504844620   0.7098756499
H    5.6887091612   3.0282361590  -0.7508949991
H    6.0551340628   1.3089680526  -0.8497617690
H    3.4720662643   0.7463819982   1.8498278163
H    2.0842859497  -1.8208240248   2.0386573928
H   -0.2832274538   1.6310953743   2.0640214557
H   -0.0236475668  -0.9447177130  -1.3713650341
H    2.2244943766  -4.5836587735  -1.0365083219
H   -2.7192850134   1.6040610379   1.8852403361
H   -2.4257593193  -0.9451735805  -1.5460547923
H   -4.3506438333  -1.7814672443  -0.5036419144
H   -4.5125949159   2.3689477569   0.5632743125
H   -6.7924056307  -1.8214090270  -0.7056605143
H   -6.9560704863   2.3143321275   0.3863559500
H   -8.1179339422   0.2229346622  -0.2563435700
*