! 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   -0.9055073859  -2.7607758619  -0.5263657692
O    2.5720347844   2.2655535326   0.2855134235
O    0.5735288293   3.2516819463   0.4951292918
N   -0.9951221619  -0.5024232745  -0.2865668965
N    1.0381394658  -1.5913477750  -0.6124009718
N   -1.5210730396   1.5833340621   0.1378962248
N    0.8010598349   1.0020106269  -0.0116436074
C    3.0675063161  -2.6284606974   0.3202758291
C    1.9410300564  -2.7235628034  -0.6977902205
C   -2.3977054562  -0.4288315902  -0.2543365776
C    3.9981033269  -1.4379098622   0.1164964247
C   -2.7117154058   0.9010678863   0.0139108773
C   -0.4804548599   0.7576381203  -0.0423618326
C   -0.2762149308  -1.7184519082  -0.4803119695
C   -3.4092165214  -1.3588499916  -0.4425261645
C   -4.0113060674   1.3580713823   0.1118127959
C    5.1259912363  -1.4039807488   1.1363704767
C   -4.7199643256  -0.9056911033  -0.3460937823
C   -5.0214603751   0.4257486545  -0.0727136376
C    1.2412713819   2.2533258485   0.2729280580
C    3.2090423600   3.5049160769   0.5773430740
H    3.6497201909  -3.5512788474   0.2494687624
H    2.6445234516  -2.6059640249   1.3288292976
H    1.3752587819  -3.6389909761  -0.5412217162
H    2.3583566420  -2.7778223913  -1.7066099926
H    4.4160410494  -1.4766931223  -0.8937439979
H    3.4430601788  -0.4973061713   0.1810510175
H    1.4218780651  -0.6547437378  -0.4964033136
H   -3.2101846970  -2.3949343189  -0.6561188546
H   -4.2249293050   2.3970220683   0.3214558783
H    4.7368487980  -1.3262505910   2.1531452880
H    5.7359122256  -2.3075607484   1.0854029700
H    5.7849876376  -0.5510597187   0.9710488255
H   -5.5245081513  -1.6139912466  -0.4891012387
H   -6.0541296438   0.7388741697  -0.0044956135
H    2.9417209606   3.8742874553   1.5676059353
H    4.2764521365   3.3042727976   0.5516241780
H    2.9733724155   4.2662040441  -0.1665502693
H   -1.4023941410   2.5673493725   0.3340119838
*