! 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
Cl  -4.9352776051   1.3839891207  -2.4309580533
O    2.1374155119   1.5585467410  -0.2373687386
O    1.6956223800  -1.6069900820   2.3960614134
N    1.9182129865  -0.6108475480   0.3665715633
N    1.6412947814  -2.9304679807   0.5553989754
N    2.1005451822  -5.0392192626   0.1252392547
C    1.8631606351   0.7811313823   0.9061021067
C    2.3060052871  -0.5945295210  -1.0677924840
C    2.9456676647   0.7914418434  -1.0973185574
C    0.4469399234   1.1065987960   1.3738582430
C    2.9273170498   1.0464189452   1.9669047639
C    3.3306775953  -1.6440310973  -1.4715864334
C    1.0963904943  -0.6208438591  -1.9988764397
C    0.2118463455   2.5718692809   1.7170019255
C    1.7577597214  -1.6537954524   1.1826106247
C   -1.2471926921   2.8372181990   2.1035853681
C   -2.2068113765   2.4953944783   0.9983649015
C    0.5962864036  -3.4050003930  -0.1991472183
C    2.5073658554  -3.9605515791   0.7314789755
C   -3.0111535663   1.3616604088   1.0622126702
C   -2.2714211198   3.2817010928  -0.1503312530
C    0.9025560139  -4.7060468222  -0.4503994747
C   -3.8541845255   1.0117790675   0.0163939831
C   -3.1058936084   2.9504598084  -1.2061417851
C   -3.8912044371   1.8115474864  -1.1129978933
H    3.9868155503   0.7523161749  -0.7537593824
H    2.9298046460   1.2350212529  -2.0918978233
H    0.2103762904   0.4935252951   2.2458756324
H   -0.2420748118   0.8046751572   0.5805290790
H    3.0019943557   2.1206729741   2.1356132365
H    3.9092467699   0.6926408395   1.6507528604
H    2.6888416244   0.5774129185   2.9172224524
H    4.1223940536  -1.7539160782  -0.7303176385
H    3.7971795228  -1.3216893454  -2.4039185663
H    2.8899917244  -2.6199514629  -1.6664019672
H    1.4252221821  -0.4444029269  -3.0234698217
H    0.5900370110  -1.5829823461  -1.9861967299
H    0.3692104681   0.1503632808  -1.7449869146
H    0.8459476116   2.8772113694   2.5523946825
H    0.4784471060   3.2096332381   0.8709110485
H   -1.3512727746   3.8914444832   2.3701314879
H   -1.4969739959   2.2621471607   2.9983537184
H   -0.2692137535  -2.8105699542  -0.4352155413
H    3.4231293659  -3.8503832442   1.2909970529
H   -2.9807104452   0.7302985626   1.9419519642
H   -1.6584841525   4.1717613981  -0.2292964407
H    0.3188013862  -5.4205486880  -1.0078446977
H   -4.4686283951   0.1243645380   0.0857704376
H   -3.1413744817   3.5736834983  -2.0893642346
*