! 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  -4.2934129506   1.1801280311  -2.6819659118
O    1.5085532722   1.4135484917  -0.6647500274
O    2.1238352132  -1.2331349963   2.4455252930
N    1.6889537775  -0.6093080517   0.3047107207
N    1.8941817196  -2.8710009907   0.8968217545
N    1.3084473020  -4.9921369992   0.9556572683
C    1.7739084555   0.8532322050   0.5984595849
C    1.0605338170  -0.8324868895  -1.0267681812
C    0.5534384538   0.5895691256  -1.2876287116
C    0.6941195028   1.2704450601   1.6087803697
C    3.1659246128   1.2869994193   1.0116119415
C    2.0783498991  -1.2100644434  -2.0989812134
C   -0.1153669166  -1.7985749229  -1.0183459538
C    0.4686856407   2.7821933272   1.6866267191
C    1.9071399557  -1.4961348694   1.2786684175
C   -0.9992100714   3.1314616253   1.9646303260
C   -1.8883272576   2.6857151380   0.8375974494
C    2.7999130169  -3.5421269733   0.1132184563
C    1.0314822374  -3.7964423309   1.3902652450
C   -1.8507449091   3.3430330575  -0.3911397133
C   -2.7016667119   1.5622548143   0.9539730630
C    2.4177737821  -4.8460928539   0.1648094873
C   -2.5886848303   2.8931170160  -1.4740946522
C   -3.4454186956   1.0915589539  -0.1198186316
C   -3.3774577185   1.7618535578  -1.3289580587
H    0.5166860574   0.8254434935  -2.3509321979
H   -0.4514722812   0.7415637554  -0.8722122637
H    0.9529301720   0.8884637727   2.5941022647
H   -0.2375770476   0.7689640472   1.3353966761
H    3.9084610113   0.9719035203   0.2793987940
H    3.4383901864   0.8815719174   1.9817065072
H    3.2069092466   2.3736618940   1.0874657682
H    2.4607643297  -2.2197938845  -1.9683465614
H    2.9232086357  -0.5211758872  -2.1138984519
H    1.5997082546  -1.1750306909  -3.0782009449
H    0.1861832998  -2.8442191033  -1.0246444751
H   -0.7754988733  -1.6262300958  -0.1671056827
H   -0.6994492610  -1.6370481864  -1.9257330347
H    1.0910669328   3.2166091864   2.4714700267
H    0.7648724240   3.2709496210   0.7566591537
H   -1.0854808344   4.2114230984   2.1037434629
H   -1.3213876411   2.6663008031   2.8992049368
H    3.6400663065  -3.0553746146  -0.3505934411
H    0.2137495311  -3.5305223893   2.0409586257
H   -1.2286159811   4.2218286176  -0.5120122576
H   -2.7541453153   1.0323820542   1.8973876565
H    2.8885417245  -5.6871163872  -0.3173575425
H   -2.5446484513   3.4161274042  -2.4197938937
H   -4.0637781126   0.2111132323  -0.0096065145
*