! 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   5.3771609297   4.3621623012  -0.6106000174
O   -1.1896844706  -1.0560916508   1.5818904061
N   -1.2283149478  -3.2503382520  -0.3921570139
N   -1.5113842870  -3.8190519105   0.7857490071
N   -2.6489872964  -4.8303257381  -0.8575383241
C   -1.1006584913  -0.8480789139   0.1882561965
C   -2.4717651798  -0.5237656967  -0.4899972322
C   -0.2571716787   0.4240910717  -0.0324395312
C   -2.4547198962   0.9998471617  -0.7522001718
C   -1.2925384196   1.5413146983   0.0700761139
C   -3.7263240605  -1.0296473875   0.2480317188
C   -0.4206351229  -2.0526440700  -0.4762926713
C    0.9482274033   0.5460976665   0.8895795143
C   -4.1552892917  -0.1806877551   1.4426008774
C   -4.8846245973  -1.1503377523  -0.7385614494
C    2.0169073943   1.5256299648   0.4702562504
C   -1.9223404646  -3.8549494630  -1.3543070550
C    1.9382035985   2.3339351412  -0.6587901383
C    3.1667164512   1.6220895678   1.2570686728
C    2.9639836133   3.2096493763  -0.9965583827
C    4.2006723805   2.4844136665   0.9374829764
C   -2.3635029225  -4.7579276367   0.4533921457
C    4.0885770084   3.2773358233  -0.1953102120
H   -2.4736893027  -1.0276573658  -1.4620255711
H    0.0904006352   0.3863473901  -1.0726905899
H   -3.4017810533   1.4863119461  -0.5170376252
H   -2.2665005138   1.1901478861  -1.8108276915
H   -0.9301055559   2.5033887380  -0.2947845875
H   -1.5827996696   1.6849906147   1.1151593439
H   -3.5274950919  -2.0415422923   0.6176165875
H    0.5486544047  -2.2569500189  -0.0191884093
H   -0.2532067399  -1.8553396190  -1.5337072773
H    1.4322756234  -0.4287309502   1.0044077165
H    0.6134955456   0.8198294600   1.8937581725
H   -1.5682376141  -1.9295005675   1.7507325370
H   -3.3444836980  -0.0075798393   2.1467296023
H   -4.5392216536   0.7920398091   1.1293552480
H   -4.9621649216  -0.6780326582   1.9840175499
H   -5.1224277413  -0.1866298326  -1.1958382079
H   -5.7894896728  -1.5074894402  -0.2431248000
H   -4.6516654221  -1.8508862473  -1.5434350482
H   -1.8567328695  -3.5712045274  -2.3925970965
H    1.0733098369   2.2966855723  -1.3073608197
H    3.2603251080   1.0024089169   2.1410647684
H    2.8767497467   3.8279645786  -1.8795593533
H    5.0822051551   2.5334689326   1.5621704560
H   -2.7920761525  -5.4179948661   1.1906805981
*