! 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   -0.4043044777   0.0311429877   0.7652353234
O   -1.4309458169  -1.0300739178  -0.9467003031
O    6.1273202999   1.6771682420  -0.4332797911
O    6.0542229734  -0.5649878617  -0.2884821564
N   -2.5748843346   0.2863624612   0.5406377921
N    4.1615687456   0.7248114474  -0.1857866296
C   -3.9027718865   0.1836274450   0.1081080176
C   -6.1586826455   1.0474020188   0.3717682157
C   -4.8087170640   1.0746368464   0.6887245452
C    3.1541661740  -0.2130970173   0.0379709473
C    0.8161277295  -0.5532719348   0.4861460237
C   -4.3595402272  -0.7524317638  -0.8146788791
C   -6.6074068402   0.1069635382  -0.5558815996
C    1.8698188647   0.3009380366   0.2327645525
C   -5.7117057689  -0.7742683013  -1.1349634686
C   -7.1186231385   2.0038769879   1.0133112951
C    3.3460903340  -1.5935348740   0.0744981772
C    0.9894906505  -1.9269857107   0.5446834361
C    2.2633548067  -2.4241662223   0.3283155068
C   -1.4838682979  -0.3110039333   0.0213491315
C    5.4965365454   0.5108902708  -0.3009862316
C    7.5476509993   1.6294749764  -0.5576449252
H   -4.4471334722   1.8023622700   1.4071854643
H   -3.6955957800  -1.4624233851  -1.2797619079
H   -7.6567818260   0.0662749407  -0.8209757995
H    1.6976849961   1.3703625023   0.2052535807
H   -6.0644147321  -1.5047384207  -1.8514330958
H   -2.4183439686   0.8990040383   1.3287185698
H    4.3172164448  -2.0313395371  -0.0824087223
H    0.1674046842  -2.5928692827   0.7668821685
H   -7.8635714450   1.4726799216   1.6078380783
H   -6.6101585034   2.7074018903   1.6708344829
H   -7.6623432191   2.5800521699   0.2635785151
H    2.4255809882  -3.4929664625   0.3637927064
H    3.8642695532   1.6899228553  -0.2000396936
H    8.0130694956   1.1877353302   0.3230513234
H    7.8701994230   2.6624867048  -0.6489299399
H    7.8552656095   1.0800869065  -1.4468745382
*