! 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    0.2822767611  -2.1123179309  -0.6063977010
O   -2.0604955408   2.6398451807   1.0163858808
O   -1.0411735189  -2.3368981183  -2.3900028169
O    0.7523882174   0.2966694862  -2.1890410675
N   -0.4601080455   0.4377772864  -0.2967437735
N    1.4512926913   1.7809267896  -0.6258539503
N    3.4015355720   2.7775739959  -0.3814469988
C   -1.4207383281  -0.5152084605  -0.8453931368
C   -2.4042678651   0.1186881813  -1.8280728433
C   -0.5810380015   0.7096844765   1.1345277494
C   -0.7062930738  -1.7422452369  -1.3954365999
C    0.5574245403   0.7909137349  -1.0939311929
C   -3.7141792114  -0.6483356034  -1.9307357505
C   -1.8664125382   1.3748185224   1.4608278193
C    1.1249498053  -3.1957069192  -1.0283564055
C    2.3071510872  -3.2572976092  -0.0910655855
C   -2.9742707664   0.9416176490   2.1075492465
C    1.9372824861  -3.5762435597   1.3571574994
C    1.1936477146   3.0010888181  -0.0358032366
C    2.7992283706   1.7151393095  -0.8221364943
C   -3.9143135824   2.0164941581   2.0624210154
C   -3.3058381862   3.0156906410   1.3861691663
C    2.4066960186   3.5922034801   0.0998978404
C    3.1526890539  -3.7346044877   2.2126895432
C    3.4356336521  -2.9971272572   3.2800966733
H   -2.0013499956  -0.8770341643   0.0101806706
H   -2.6222287718   1.1248479638  -1.4651548929
H   -1.9473262037   0.2349396830  -2.8115122805
H    0.2714069708   1.2878500881   1.4850031957
H   -0.5427162291  -0.2401107541   1.6714421856
H   -3.5786337999  -1.6590335440  -2.3116843708
H   -4.2014111832  -0.7189882183  -0.9562767657
H   -4.4012324714  -0.1340115823  -2.6022871000
H    1.4609666381  -3.0208476319  -2.0521201467
H    0.5585628943  -4.1300093351  -1.0098446790
H    2.8649491960  -2.3181147272  -0.1399210176
H    2.9749373900  -4.0320509816  -0.4770064892
H   -3.1069342390  -0.0279882324   2.5604054250
H    1.3616491068  -4.5083556721   1.3733555413
H    1.2926196734  -2.7976170685   1.7713356161
H    0.2016852092   3.3522724025   0.1870240016
H    3.2751456165   0.8561463570  -1.2678857562
H   -4.9095246683   2.0363485090   2.4751754002
H   -3.6137897985   4.0093017791   1.1034597019
H    2.6166699092   4.5658405385   0.5118718983
H    3.8495221708  -4.5128296111   1.9107244938
H    4.3394309764  -3.1545211060   3.8546062106
H    2.7755203691  -2.2068027067   3.6196461570
*