! 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   5.3660042857  -3.0507370374   0.4673328721
O   -1.9402064215   1.3705934551  -1.6088571651
N   -0.8805777915   2.5240942535   0.7984286002
N    0.0437895535   2.3073472945   1.7394018980
N    0.7136195715   3.9353645901   0.3514858051
C   -1.9842437842   0.6496129915  -0.3951174693
C   -3.1901444258  -0.3307119987  -0.3405543363
C   -0.7225078732  -0.2543240988  -0.1523525939
C   -2.6638907286  -1.5091227147   0.4755779044
C   -1.2529769950  -1.6853134823  -0.0654594290
C   -4.5495897786   0.2340777022   0.0881135359
C   -2.0774749532   1.7141081281   0.7003809415
C    0.4035649367  -0.0539784484  -1.1673210454
C   -5.5788737046  -0.8853254524   0.2275186767
C   -5.0764953230   1.2781339845  -0.8944713192
C    1.6431535087  -0.8072659259  -0.7759298139
C   -0.4638192389   3.4898621523  -0.0207449604
C    1.9411525107  -2.0538915271  -1.3177471232
C    2.5212694152  -0.2745776367   0.1661848443
C    3.0794756475  -2.7528057206  -0.9400378735
C    3.6641799264  -0.9546018062   0.5562263708
C    0.9756209996   3.1719029964   1.4282229241
C    3.9338025786  -2.1934920984  -0.0044273875
H   -3.3156502349  -0.7059179443  -1.3683006612
H   -0.3172004639  -0.0072085491   0.8330635054
H   -3.2727914227  -2.4057331941   0.3617354344
H   -2.6411655676  -1.2653802326   1.5436304739
H   -0.6259289760  -2.3265916544   0.5546819922
H   -1.2986140974  -2.1425376096  -1.0597713806
H   -4.4487732198   0.7015249076   1.0742763998
H   -2.2256281330   1.2502142380   1.6734958350
H   -2.9175848398   2.3846133348   0.5249352984
H    0.6477120564   1.0075404854  -1.2522685862
H    0.0794035273  -0.3820825751  -2.1589329354
H   -1.9731453640   0.7476516120  -2.3426662658
H   -5.3171507857  -1.5935161005   1.0138012410
H   -5.6829773119  -1.4457912523  -0.7051677194
H   -6.5601004596  -0.4762527892   0.4748515422
H   -6.0598181455   1.6355354214  -0.5839141758
H   -5.1845810075   0.8490908083  -1.8936613703
H   -4.4311730516   2.1507274323  -0.9864704638
H   -1.0452387459   3.8513595952  -0.8526483603
H    1.2806224346  -2.4928474708  -2.0554579129
H    2.3160092007   0.6960137529   0.6032412553
H    3.2952193750  -3.7188412886  -1.3758691860
H    4.3358668288  -0.5191619200   1.2835844255
H    1.8781701232   3.2624511856   2.0121904820
*