! 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   6.2463613960   1.0101208974  -0.3328305814
O   -2.1681014159  -0.8434471264  -1.3961667237
N   -2.7447366283   1.4205496675   0.1913655751
N   -2.3448166481   2.4700425441   0.9173648592
N   -3.1125922440   3.1528568920  -1.0741880908
C   -1.7638909028  -0.9123430357  -0.0469796448
C   -1.9784940417  -2.3131707872   0.6463409749
C   -0.2397521044  -0.6563929616   0.0762880973
C   -0.5802733302  -2.7686350240   1.0803737152
C    0.1848597556  -1.4712176811   1.2875617001
C   -2.7707564474  -3.3496107777  -0.1579886925
C   -2.6649837115   0.0692560803   0.7118494874
C    0.2400145966   0.7939995769   0.0574564852
C   -2.7195562761  -4.7122021628   0.5302358684
C   -4.2304271399  -2.9455116715  -0.3482572960
C    1.7375927169   0.8735176022  -0.0384386037
C   -3.2039767549   1.8461478084  -0.9859889407
C    2.5230231881   1.0685576773   1.0938943061
C    2.3802520096   0.7204821040  -1.2648598074
C    3.9077562289   1.1106779869   1.0151970950
C    3.7624969412   0.7603287952  -1.3663019189
C   -2.5784153521   3.4769459855   0.1170079886
C    4.5161682787   0.9551137887  -0.2193132839
H   -2.5498153085  -2.1340196036   1.5674112981
H    0.2067902330  -1.1541025391  -0.7974830909
H   -0.0996220072  -3.3505759818   0.2869739352
H   -0.6082925065  -3.3989178041   1.9692350084
H   -0.1265387765  -0.9779516763   2.2148726214
H    1.2643527731  -1.6144942873   1.3440051225
H   -2.3071097496  -3.4642862236  -1.1449705804
H   -2.3330447829   0.1540398168   1.7447355576
H   -3.6769945350  -0.3392933452   0.7394143329
H   -0.0889624598   1.3109519783   0.9598341333
H   -0.2002443496   1.3195025135  -0.7944134003
H   -1.6043532849  -1.4233333450  -1.9191997774
H   -3.1230653636  -4.6569285819   1.5445862068
H   -3.3166859509  -5.4423638759  -0.0191888917
H   -1.7066864315  -5.1096329361   0.5974456062
H   -4.7324521894  -2.8412785311   0.6172594169
H   -4.7709960097  -3.7082143452  -0.9121992687
H   -4.3417140972  -2.0062270618  -0.8863609539
H   -3.6108177328   1.1915874890  -1.7373229079
H    2.0507089187   1.1927823396   2.0607761806
H    1.7943145141   0.5721492057  -2.1642113758
H    4.4992747138   1.2658135838   1.9071911369
H    4.2421116217   0.6451863132  -2.3288058770
H   -2.3589127276   4.4916756493   0.4100509230
*