! 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  -2.0604898014   4.9533985497   0.5385843204
N   -0.7474582796  -2.9563926229  -0.5764636002
N   -0.2912249742  -3.3820884105  -1.7598629290
N   -0.2268588494  -5.0415028628  -0.2507248073
N    0.7753377101  -1.6878095730   2.4650467994
C    0.0355950187  -0.6915733049   0.1639850085
C    1.2722730749  -0.7383411121  -0.7611582462
C   -1.1218674466  -1.5835153254  -0.3558768416
C    2.4012375023   0.1841292630  -0.3239701704
C   -0.5008570599   0.7272820444   0.3039949455
C    3.6186074715   0.0633134486  -1.2315289248
C    0.4446764504  -1.2223636686   1.4651523218
C   -0.6493436440   1.3603554420   1.5309101326
C   -0.8532306184   1.4226076440  -0.8510931663
C    4.7522089778   0.9825227845  -0.8048038035
C   -1.1296876590   2.6602103520   1.6115242767
C   -1.3352638752   2.7181647039  -0.7872596221
C   -0.6968410202  -3.9547085409   0.3087425927
C   -1.4677836281   3.3300085008   0.4497659016
C    0.0048118344  -4.6303218577  -1.5116924401
H    0.9484638677  -0.4844765392  -1.7731094159
H    1.6417464012  -1.7648358292  -0.8052102363
H   -1.4843287231  -1.1848587846  -1.3006317183
H   -1.9491166832  -1.5591257750   0.3518073417
H    2.6982780856  -0.0482886289   0.7041895391
H    2.0583385449   1.2223985815  -0.3181007769
H    3.3274572196   0.2920524487  -2.2606937700
H    3.9683666445  -0.9729810618  -1.2355804645
H   -0.3885585505   0.8584015334   2.4533271872
H   -0.7464829068   0.9683726268  -1.8279241343
H    5.0861731832   0.7553044284   0.2092279921
H    4.4423387171   2.0289447516  -0.8218125893
H    5.6151738816   0.8847246240  -1.4642382587
H   -1.2326971543   3.1367889838   2.5763719681
H   -1.5990636450   3.2411545871  -1.6958451127
H   -1.0303128372  -3.8539889211   1.3294630581
H    0.3982222974  -5.2778049229  -2.2792716245
*