! 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    3.9924250994   0.2035423680   1.3447237180
O    1.3568141263   0.4201379573   0.5969522240
N    2.2267266412  -1.6421515874  -0.0220986193
N    2.2660937983  -2.5188377917  -1.0303146173
N    2.2147134782  -3.5852942419   0.9426585778
C    3.8992808625   1.7886325881  -0.5537335973
C    3.6518814766   0.3602427220  -0.0116612639
C    2.2506598031  -0.2083378371  -0.2684486370
C    3.0663104239   2.8693821382   0.1390778408
C    5.3832810562   2.1043318662  -0.3402287766
C    3.6121479727   1.8163811720  -2.0561203093
C    0.0153307446   0.3351871884   0.3826488810
C    2.1992345586  -2.2892411296   1.1447330486
C   -0.7798097933   1.0679020450   1.2587120280
C   -0.5786839195  -0.4114105234  -0.6269189951
C    2.2587496060  -3.6644713237  -0.4007300401
C   -2.7771690951   0.3085931646   0.1177422740
C   -2.1549029737   1.0526905652   1.1231874015
C   -1.9616531006  -0.4155593261  -0.7473550520
C   -4.2464202763   0.2868242933  -0.0217801848
C   -4.9118286681  -0.8862549006  -0.3841015299
C   -5.0056491138   1.4368810474   0.2036955512
C   -6.2920112901  -0.9083299957  -0.5191538245
C   -6.3861456240   1.4145168344   0.0697489731
C   -7.0358464378   0.2420686404  -0.2928419960
H    4.3318447694  -0.2952782060  -0.5664331556
H    1.9785965075  -0.0820757901  -1.3193915990
H    2.0005212881   2.7852529040  -0.0687015264
H    3.1986885738   2.8736181324   1.2233255895
H    3.3838719550   3.8518244676  -0.2148525110
H    5.6239545432   3.0819904935  -0.7606317784
H    6.0246863459   1.3690429363  -0.8310406059
H    5.6518502633   2.1291330584   0.7158599206
H    4.1405784498   1.0195899968  -2.5849111347
H    3.9432504659   2.7644298239  -2.4827880040
H    2.5491653798   1.7237411636  -2.2859213960
H    3.4518456138   0.7957249079   1.8795419995
H    2.1560416842  -1.7996467925   2.1037699103
H   -0.3181641690   1.6442159057   2.0502750914
H   -0.0030570394  -0.9931452447  -1.3333939304
H    2.2798057164  -4.6003969822  -0.9367695933
H   -2.7503153933   1.6178754001   1.8288593295
H   -2.4009455236  -0.9907596199  -1.5522400976
H   -4.3502695034  -1.7983914841  -0.5434904827
H   -4.5150516416   2.3658049556   0.4670704647
H   -6.7873601902  -1.8303122212  -0.7944587514
H   -6.9545147805   2.3191965169   0.2419440936
H   -8.1125967586   0.2248127823  -0.3976893990
*