! 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    0.7959949402   1.6437418351   0.8677569765
O   -2.9131616383  -1.1303905518  -0.1765802610
O    0.9359755338   0.1795191561  -0.8489398368
O   -5.1537866589  -1.0560200230  -0.0489026879
N   -3.9318155461   0.8286129020   0.1750775490
N    2.5487384136   0.3145720811   0.7710438487
C   -2.7868079467   1.6334925707   0.1434080146
C   -0.4563613379   2.0681381932   0.4596237364
C   -1.5248545257   1.1904083266   0.5282557516
C   -2.9532220101   2.9644476732  -0.2445744620
C   -0.5998454281   3.3842125933   0.0652338735
C   -1.8723492308   3.8270977803  -0.2696661448
C    3.4829583993  -0.6368188574   0.3420709266
C    4.7765289819  -0.5233529546   0.8519505410
C    3.1773925161  -1.6910637662  -0.5171292820
C    1.3936076326   0.6523794405   0.1617423504
C   -4.0675807615  -0.5111492660  -0.0227104080
C    5.7514206019  -1.4430451437   0.5052843410
C    4.1673758387  -2.6012137415  -0.8622087166
C    5.4550455168  -2.4876342861  -0.3600413943
C   -2.9157801611  -2.5517393332  -0.3823149208
C   -1.4825315719  -3.0148559546  -0.3162142214
H   -1.3643210841   0.1889242719   0.8941332539
H   -3.9344919184   3.3223094803  -0.5301502057
H    0.2531699680   4.0481576969   0.0301844036
H   -2.0198197203   4.8550949052  -0.5709421052
H   -4.8111564754   1.3250100169   0.1707669649
H    2.8217247229   0.8741657204   1.5666948110
H    5.0198088268   0.2918796204   1.5227838998
H    2.1828240300  -1.8209289026  -0.9133318924
H    6.7481830643  -1.3366507746   0.9122396768
H    3.9167390970  -3.4152542728  -1.5295752562
H    6.2162014183  -3.2049067249  -0.6352004545
H   -3.3572589910  -2.7752729156  -1.3549348478
H   -3.5169247058  -3.0390557532   0.3862527690
H   -1.4432796129  -4.0817867034  -0.5327369206
H   -1.0563436097  -2.8591370485   0.6748150385
H   -0.8567111313  -2.5008045902  -1.0461959779
*