! 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   -0.5264269185  -2.5279195106  -0.2086592793
O    2.4055621258   2.9094895845  -0.0713647499
O    0.3137476466   3.6830322157   0.1165924033
N   -0.8473507142  -0.2780312817  -0.1955027358
N    1.2798247467  -1.1846652870  -0.4934867463
N   -1.5831097073   1.7746286359   0.0236231299
N    0.7842948643   1.4278211580  -0.1389713534
C    3.1510631093  -2.1961250431   0.7487032773
C    2.2866942670  -2.2267981069  -0.5050355185
C   -2.2490742969  -0.3469505058  -0.1271061331
C    4.3161744472  -3.1785800194   0.6946742987
C   -2.6968521267   0.9641666092   0.0097254411
C   -0.4636009859   1.0469418805  -0.1020095407
C   -0.0097408633  -1.4276552490  -0.2918625514
C   -3.1591334492  -1.3916569830  -0.1873428013
C   -4.0356349994   1.2915303485   0.0995386131
C    3.8936767678  -4.6409998927   0.6622489660
C   -4.5086866127  -1.0695747228  -0.0987073552
C   -4.9444193494   0.2449246262   0.0443189606
C    1.0844141785   2.7456757823  -0.0195845782
C    2.8980606913   4.2406094499   0.0470866044
H    2.5275477496  -2.4043727565   1.6234208243
H    3.5440358320  -1.1838498965   0.8789558176
H    1.7933633427  -3.1889313461  -0.6225097619
H    2.9124990698  -2.0846953793  -1.3884778620
H    4.9380581641  -2.9557668403  -0.1775924860
H    4.9505409665  -3.0093206032   1.5676068511
H    1.5818014408  -0.2125571785  -0.4612701151
H   -2.8538534511  -2.4178186293  -0.2989511574
H   -4.3546581661   2.3192421393   0.2063501530
H    3.2519687993  -4.8849626937   1.5112564218
H    3.3473858240  -4.8952519310  -0.2471348649
H    4.7618160822  -5.2996393062   0.7080858618
H   -5.2360026002  -1.8686173322  -0.1430349755
H   -6.0031234186   0.4545071334   0.1114636384
H    2.6291592270   4.6875833132   1.0044416206
H    3.9800806845   4.1652117572  -0.0156064512
H    2.5404289690   4.8784950801  -0.7614372818
H   -1.5675244937   2.7808762410   0.1106086787
*