! 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   6.8289941485  -0.1921547150   0.0907791318
O   -1.6937813446  -0.0679777661  -1.7040568684
N   -3.3431497689   1.4874157411   0.1110212807
N   -4.1155646539   1.2764528743   1.1820532852
N   -5.3809718170   1.5374301015  -0.6503155844
C   -1.3804568909   0.0413768230  -0.3315090562
C   -2.0245695937  -1.1281924953   0.4827797517
C    0.1404110390  -0.0987767128  -0.0784204359
C   -0.8505138740  -1.8776029928   1.1282560108
C    0.2326793130  -0.8156990159   1.2617052026
C   -3.0554718753  -1.9973468986  -0.2537272545
C   -1.9004056641   1.3956349422   0.1785088681
C    0.9735748207   1.1780412597  -0.2064592770
C   -2.4507386137  -3.0312521236  -1.2004323630
C   -3.9634399381  -2.6916289302   0.7585272442
C    2.4441507230   0.8778209094  -0.1373056124
C   -4.1108537693   1.6300329912  -0.9687986344
C    3.1191761976   0.3838712818  -1.2512445424
C    3.1576081698   1.0364537105   1.0467943088
C    4.4643196572   0.0534460889  -1.1922524151
C    4.5042768135   0.7112111995   1.1276174428
C   -5.3204255025   1.3134265634   0.6745837531
C    5.1462062039   0.2194180298   0.0032335425
H   -2.5683052062  -0.6630014891   1.3097661962
H    0.4951748901  -0.8040641964  -0.8409021510
H   -0.4826690916  -2.6791159476   0.4832694271
H   -1.1265554225  -2.3323977137   2.0802051163
H    0.0104493041  -0.1292076400   2.0858157111
H    1.2223476398  -1.2341376458   1.4481508077
H   -3.6916869964  -1.3310319691  -0.8450788524
H   -1.4862683833   2.2179597003  -0.4075341535
H   -1.6172933084   1.5636892084   1.2164450317
H    0.7101213375   1.8855036517   0.5833044498
H    0.7538804752   1.6735178838  -1.1576671067
H   -1.2107702419   0.6147080834  -2.1837467844
H   -1.7075263727  -2.6032774461  -1.8714445321
H   -1.9727329055  -3.8464872140  -0.6533978632
H   -3.2309695415  -3.4801834190  -1.8181129371
H   -4.7117100349  -3.3095318985   0.2582692807
H   -4.4975284384  -1.9660204487   1.3753982541
H   -3.3977857596  -3.3451139855   1.4269230558
H   -3.7168134866   1.8261036142  -1.9522302532
H    2.5902154306   0.2540931681  -2.1880240596
H    2.6588565957   1.4210081415   1.9280809327
H    4.9710222903  -0.3267566931  -2.0688684789
H    5.0410152477   0.8422010200   2.0573293547
H   -6.1952331278   1.1848018243   1.2925712196
*