! 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   0.2176726714   1.6366383735  -1.4655083831
Cl  -7.7615654654  -0.1047235455  -0.5272433323
O    3.5294543273  -0.5181999564   0.7244146636
O    3.0205611545   0.7552061533  -1.0549447031
O   -2.4117666739  -2.4163622193   0.0655148580
N    3.7284344279   2.2271449570   1.2579991649
N    4.5844466033   1.9004420530   2.2310655617
N    5.5437196840   3.3273342403   0.7880876897
C    2.5612878926   0.3504784605   0.2022728565
C    4.5564278386  -0.7387405352  -0.2439084013
C    2.4520354253   1.5789892376   1.1144281931
C    3.8948692336  -0.2554731053  -1.5205265838
C    1.2148604523  -0.3615042117   0.1187519391
C    4.9755500457  -2.1868671890  -0.2609582372
C    0.1236153492   0.1450499485  -0.5846946510
C    1.0186439840  -1.5608857581   0.7989903362
C   -1.1001008600  -0.5067436079  -0.6240096717
C   -0.1943333426  -2.2236372457   0.7931849199
C   -1.2568031801  -1.6922191352   0.0788125828
C    4.3205878700   3.0610653663   0.4018242381
C    5.6478269417   2.5875846888   1.9086700743
C   -3.6326787130  -1.8087576968  -0.0829770422
C   -4.5562413382  -2.4463232928  -0.8970133054
C   -3.9747764508  -0.6503775809   0.6019078841
C   -5.8341286907  -1.9268174246  -1.0293619024
C   -5.2481178383  -0.1224197055   0.4581676650
C   -6.1690049877  -0.7637120726  -0.3554082831
H    5.4172548332  -0.1048584513   0.0013186594
H    2.1045413937   1.2780626309   2.1007624683
H    1.7348298791   2.2960619858   0.7189605269
H    4.5938045540   0.1819342415  -2.2313479285
H    3.3421213438  -1.0612255929  -2.0195542205
H    4.1352209459  -2.8415870883  -0.4951290839
H    5.3974422026  -2.4908855456   0.6966614647
H    5.7447267645  -2.3364675098  -1.0193438037
H    1.8347162416  -1.9916472985   1.3601209808
H   -1.9109359077  -0.0869323915  -1.2039490297
H   -0.3127641408  -3.1511678137   1.3370025045
H    3.8230022044   3.4651710832  -0.4645220167
H    6.5396527080   2.5608072026   2.5147113695
H   -4.2842896138  -3.3530583899  -1.4205883875
H   -3.2679197747  -0.1533573395   1.2532942112
H   -6.5546735787  -2.4282786802  -1.6601863871
H   -5.5151251918   0.7806635950   0.9889943385
*
