! 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    1.4016231286   1.0450108865   0.0812555833
O   -4.7395465785  -1.2949074623  -0.1700658193
O    1.4613279236   1.7389173241   2.2202424620
O   -2.5275763208  -1.6945579510  -0.2190722291
N   -3.3747048799   0.4320926566  -0.1715067193
N    3.0813950827   0.3874103711   1.4095035694
C   -2.2211031404   1.2131957529  -0.2198759781
C    0.1361573514   1.5877658782  -0.0768804928
C   -0.9357984433   0.7152329113  -0.0137174833
C   -2.3893617667   2.5777711637  -0.4659123305
C   -0.0084693444   2.9374880540  -0.3279907659
C   -1.2952692092   3.4220483740  -0.5192532097
C    3.7121531711  -0.4505928616   0.4721730382
C    5.1042503853  -0.4870813655   0.4840798611
C    3.0131587452  -1.2903236383  -0.3917672692
C    1.9406525565   1.1004255245   1.3101708698
C   -3.4626025218  -0.9228601825  -0.1904355078
C    5.7903095510  -1.3443103711  -0.3611937125
C    3.7104921543  -2.1290582482  -1.2487453352
C    5.0973343147  -2.1646340130  -1.2401030609
C   -5.0115687253  -2.7065921834  -0.1850026840
C   -6.5073043061  -2.8867757551  -0.1663101986
H   -0.7549121151  -0.3274688170   0.1933344158
H   -3.3834596187   2.9774663337  -0.6236542097
H    0.8507468779   3.5922842919  -0.3779430780
H   -1.4478053907   4.4745799563  -0.7148416930
H   -4.2477951560   0.9388238707  -0.2052660613
H    3.5889726552   0.5513495274   2.2669076414
H    5.6527676169   0.1553843556   1.1617323586
H    1.9340376645  -1.3183455371  -0.3939765726
H    6.8713375694  -1.3642451919  -0.3332810112
H    3.1559470420  -2.7742617658  -1.9171396440
H    5.6311593707  -2.8304719450  -1.9042621576
H   -4.5543033007  -3.1778846745   0.6866311123
H   -4.5799417275  -3.1554528174  -1.0811413328
H   -6.9559641998  -2.4587237080   0.7300110997
H   -6.7322290162  -3.9529583364  -0.1733690243
H   -6.9800736969  -2.4417821102  -1.0417828557
*