! 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   -3.0212135210  -1.6900174431  -0.7352248052
O   -0.8962852695   0.0733815383  -1.0837508421
N   -2.8342399618   1.2510620843  -0.9136617035
N   -3.0869098240   2.4950566941  -0.4885397663
N   -4.2604025724   2.0442495966  -2.3453643989
C   -3.7187689595  -0.7313835054   1.3622133762
C   -2.5767495591  -0.8979548192   0.3383978252
C   -1.9347090021   0.3965752481  -0.1828046445
C   -5.0198785649  -0.1928130462   0.7609735075
C   -4.0001170844  -2.1173251778   1.9538167481
C   -3.2612295021   0.1921998058   2.4927268308
C    0.3867691990  -0.0543101021  -0.6544298787
C   -3.5412905644   0.9987081040  -2.0197214299
C    1.3385533261  -0.2173623234  -1.6583505007
C    0.7912995066  -0.0324781106   0.6748973120
C   -3.9489857862   2.9223170920  -1.3717357099
C    3.1084504113  -0.3051642906  -0.0061390420
C    2.6749648752  -0.3413754618  -1.3341216717
C    2.1404554733  -0.1520836607   0.9822767620
C    4.5415914658  -0.4177352665   0.3283439906
C    5.0919251230   0.3157044626   1.3815289782
C    5.3849132580  -1.2509948450  -0.4098617020
C    6.4421430171   0.2210132016   1.6845991162
C    6.7354734203  -1.3436818075  -0.1086001394
C    7.2708210860  -0.6073536501   0.9396885787
H   -1.7659356580  -1.4115408624   0.8778939651
H   -1.5670989900   1.0040108963   0.6451191262
H   -5.3466102958  -0.7663274811  -0.1065800941
H   -5.8137134542  -0.2625939428   1.5077530882
H   -4.9597351130   0.8575919078   0.4769986207
H   -4.3713392081  -2.8160946219   1.2041793541
H   -4.7569000870  -2.0451684700   2.7369113307
H   -3.1037108704  -2.5511795801   2.4028060491
H   -2.3048677911  -0.1250710696   2.9166166410
H   -3.9919763154   0.1810425664   3.3028917033
H   -3.1616817995   1.2308164468   2.1733539181
H   -2.2572910462  -2.0626528493  -1.1853006256
H   -3.5015569434   0.0674134308  -2.5578183069
H    1.0271224777  -0.2311891814  -2.6949111864
H    0.0898031338   0.0660544170   1.4922742396
H   -4.3663243844   3.9150908165  -1.3162430866
H    3.3937782653  -0.4415830555  -2.1372891342
H    2.4274654937  -0.1454859672   2.0260396132
H    4.4660078800   0.9852519814   1.9582270840
H    4.9818166936  -1.8472134290  -1.2188698178
H    6.8496260919   0.8053316781   2.4991575753
H    7.3696358985  -1.9988086010  -0.6914374174
H    8.3248113776  -0.6779990936   1.1737454136
*