! 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  -2.0832024043   4.9514569380   0.6126852410
N   -0.6255743101  -2.8912244318  -0.6834677377
N   -0.0075824599  -3.2703746562  -1.8076779938
N   -0.1863718484  -4.9993630872  -0.3882619501
N    0.5191950193  -1.7776124575   2.5712737399
C    0.0791892740  -0.6688528933   0.2448850750
C    1.4160274662  -0.6876546274  -0.5292406917
C   -1.0119963271  -1.5236373819  -0.4522575151
C    2.4884996265   0.2068099957   0.0781655579
C   -0.4683684217   0.7459025692   0.3830925190
C    3.8323868820   0.0773697964  -0.6325692396
C    0.3210951405  -1.2627484601   1.5605099383
C   -0.7919286521   1.3141524002   1.6081149505
C   -0.6610471454   1.5000446053  -0.7727595424
C    3.8062758487   0.5313719107  -2.0851080143
C   -1.2903352465   2.6074251568   1.6870433849
C   -1.1581328536   2.7899363182  -0.7108202739
C   -0.7188584957  -3.9305581704   0.1495493962
C   -1.4684086627   3.3361607056   0.5251830568
C    0.2314882171  -4.5347918630  -1.5810846248
H    1.2060173728  -0.3966640418  -1.5601548429
H    1.7857548387  -1.7144280390  -0.5701782624
H   -1.2493717672  -1.0783657822  -1.4157303444
H   -1.9209159515  -1.5179468712   0.1473552040
H    2.6242964527  -0.0471240840   1.1338125831
H    2.1667339963   1.2516105502   0.0520858245
H    4.1743051544  -0.9602072266  -0.5766955403
H    4.5694046360   0.6699262607  -0.0857450787
H   -0.6603203249   0.7647030339   2.5309877079
H   -0.4181830830   1.0956022806  -1.7471110507
H    4.8038363811   0.4962196710  -2.5243967012
H    3.4461474441   1.5585965283  -2.1709083562
H    3.1622983235  -0.0955570491  -2.7034136998
H   -1.5316296953   3.0331435468   2.6510583195
H   -1.2957561847   3.3594655220  -1.6193293885
H   -1.1967617857  -3.8705909334   1.1148580292
H    0.7253147809  -5.1534475367  -2.3138185343
*