! 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   -3.3854330210  -1.3901490719  -0.1473862714
O    0.7575536493   2.7126500115  -0.3422494706
O   -1.6751917657   0.7865089598  -1.6358268308
O   -2.4921008717   0.1170109079   1.2359383062
N   -0.1116540610  -0.1598090713  -0.3329072602
C   -1.0393751298  -1.2693709156  -0.1108472533
C    1.2701883730  -0.2955936868   0.0079682629
C    1.7488301966   0.1753569877   1.2300088989
C    2.1100400750  -0.9440060083  -0.9086436898
C   -0.5209213140  -2.2757273734   0.9085994335
C   -0.5450696300   0.8166325978  -1.1627196327
C   -2.3714784494  -0.7323355882   0.3878857489
C    3.1037400915   0.0032185181   1.5140721271
C    3.4536169442  -1.0930545864  -0.5907251600
C    0.8803846657   0.8454403559   2.2497777323
C    1.5794548159  -1.4786251085  -2.2056751897
C    3.9497131522  -0.6194226915   0.6154387027
C    0.4032831681   1.9689341620  -1.4764368050
C   -4.7001773278  -1.0541507077   0.3055287349
C   -0.3280256268   3.4243117595   0.2126212302
H   -1.2124838383  -1.7936809425  -1.0548565725
H   -0.3158604516  -1.8162280473   1.8745326099
H   -1.2684468807  -3.0548583680   1.0558076557
H    0.3859608164  -2.7635648141   0.5555668980
H    3.4937865487   0.3644828848   2.4581185814
H    4.1152453105  -1.5879566344  -1.2904959928
H    1.2032287347   1.8740809009   2.4138208710
H   -0.1682058128   0.8640723027   1.9696968675
H    0.9599029164   0.3334358645   3.2099131895
H    0.8538174777  -2.2796961108  -2.0505617483
H    1.0867851064  -0.7140801959  -2.8093511753
H    2.3863656576  -1.8917027874  -2.8086474046
H    4.9980861347  -0.7419049737   0.8544048537
H    1.3271259864   1.5934804971  -1.9218592969
H   -0.0938798394   2.5926288743  -2.2284741091
H   -5.3807373746  -1.6696451581  -0.2743757296
H   -4.9247468733  -0.0038513021   0.1261553645
H   -4.8251334658  -1.2780632448   1.3640498974
H   -1.0990705654   2.7674983398   0.6291370137
H   -0.8024920616   4.0797002903  -0.5264124553
H    0.0607022959   4.0411751855   1.0209580789
*