! 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    0.1054655557  -0.8594376281   0.9212291347
O   -3.5589916469   0.3061159358  -0.1584388321
O   -1.6744022860  -0.4328575891   2.2033379753
O    0.7089232205   0.6609705148  -2.1629006213
N   -0.4028176402   1.5182942580  -0.3668164731
N    1.9350750650   1.3312504433  -0.3794727111
N    3.5662893629   2.3142109727   0.7276682410
C   -0.5070901523   1.3928767685   1.0905049371
C   -1.4821351562   2.3893215462   1.7062441075
C   -1.6673796565   1.5028894787  -1.1057186528
C   -0.7950508518  -0.0642867878   1.4672310820
C    0.7021661623   1.1215569693  -1.0420020753
C   -1.2271908524   2.6068221329   3.1907095592
C   -2.4525432398   0.2480373092  -0.9420926012
C    0.0564297556  -2.2679928140   1.2030592034
C    1.1848688780  -2.9261950249   0.4433442391
C   -2.2880196734  -1.0188535389  -1.3973807336
C    0.9940666165  -2.9146485810  -1.0743147329
C    3.0043396442   0.4660073649  -0.4151918643
C    2.3385135689   2.4310301433   0.3201137057
C   -3.3536877960  -1.7899995406  -0.8472677412
C   -4.0894465049  -0.9322112257  -0.1033500792
C    3.9886400403   1.0852890228   0.2831880792
C    2.2044734228  -3.4104901399  -1.7978034045
C    2.8643691557  -2.7196611714  -2.7211045456
H    0.4713650925   1.5995189924   1.5258822534
H   -1.3555603463   3.3424383976   1.1889861891
H   -2.5167145030   2.0827460399   1.5519040986
H   -1.4490421631   1.6781063107  -2.1557245751
H   -2.2618701567   2.3539361513  -0.7759946661
H   -0.2094019037   2.9563499166   3.3716583085
H   -1.9069325674   3.3649762671   3.5784189038
H   -1.3798408850   1.7015683363   3.7762442519
H   -0.9142914400  -2.6708542186   0.9044644245
H    0.1755430049  -2.4218610815   2.2769586551
H    1.2535409773  -3.9585735035   0.7940125221
H    2.1299841573  -2.4477918210   0.7158088944
H   -1.5007223493  -1.3650726787  -2.0464633380
H    0.7539731178  -1.9105009968  -1.4274562419
H    0.1346778316  -3.5474458799  -1.3205227627
H    2.9677320298  -0.4909138453  -0.9082874383
H    1.7091581917   3.2960802321   0.4596500508
H   -3.5454956703  -2.8406240490  -0.9916720118
H   -4.9846032122  -1.0502256133   0.4854909620
H    4.9784942073   0.7143908621   0.4935614284
H    2.5581877799  -4.4018795229  -1.5267330851
H    3.7401737382  -3.1220665430  -3.2139005174
H    2.5441304830  -1.7309111354  -3.0325119018
*