! 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   3.7165912547   3.9910766891   1.1150659508
O   -0.6458571819  -0.6535945389   1.1444651499
N   -1.4939189251  -3.0284036607  -0.3623720914
N   -0.4486252248  -3.4081521197   0.3823728131
N   -0.5036060356  -4.5749264888  -1.5278405169
C   -1.5975232849  -0.5916623511   0.1031080590
C   -2.5871485100   0.5537470306   0.4918826102
C   -0.9341992394  -0.3260020176  -1.2801489359
C   -2.3532143204  -1.9378651332   0.0457630345
C   -3.2932064057   0.2509037792   1.8193140401
C   -1.8192805021   1.8694121536   0.6663163187
C   -3.6604388204   0.7548677113  -0.5821438504
C    0.5842051748  -0.5237024913  -1.3664956076
C    1.3822109934   0.5876229256  -0.7383311158
C   -1.5052026466  -3.7250218067  -1.4959499237
C    2.1898075241   0.3802569691   0.3744399633
C    1.3300580014   1.8720555235  -1.2752319678
C    0.1115854085  -4.3329064082  -0.3588415786
C    2.9135137796   1.4155848164   0.9483731413
C    2.0408374131   2.9229213897  -0.7168092480
C    2.8260140287   2.6841478931   0.3995604604
H   -1.1492386100   0.6893367146  -1.6137195653
H   -1.3999303350  -0.9612669735  -2.0380189515
H   -2.7739926094  -2.1923879520   1.0173385876
H   -3.1696896514  -1.9018281313  -0.6719556758
H   -3.8973856440   1.1102551751   2.1159242749
H   -2.5873003942   0.0561651632   2.6262913279
H   -3.9747593576  -0.5987032052   1.7540195703
H   -1.3199959255   2.1946461237  -0.2466983323
H   -1.0627852582   1.8057761920   1.4473599381
H   -2.5159205196   2.6619857301   0.9468066209
H   -3.2430018731   0.9960312129  -1.5604284393
H   -4.3056796797  -0.1170035158  -0.7018744139
H   -4.3084344985   1.5867848005  -0.2996979451
H    0.8359342311  -0.5671093337  -2.4293048749
H    0.8945265929  -1.4866187666  -0.9556334622
H   -0.1904161026  -1.5060885335   1.1059652570
H   -2.2601071656  -3.5966905002  -2.2553172774
H    2.2646963619  -0.6079276051   0.8107952631
H    0.7215050392   2.0659652590  -2.1509276665
H    0.9973090112  -4.8563578456  -0.0354689936
H    3.5327797268   1.2315699232   1.8159304587
H    1.9822733852   3.9123729050  -1.1498670344
*