! 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   0.8276134175   2.9610036676  -2.4957268582
Cl   1.1146057780   4.7286077258   0.0862427671
F    4.9824574147  -3.3609021381   0.4438812439
F   -1.5618379458   0.8152626025  -1.4542689366
F   -1.2825975936   1.2894602183   0.6588138760
O   -1.4292189165  -3.4564744901  -0.2125738456
N   -0.2472328757  -1.6068378265   0.3778331834
N   -4.7984494714  -1.2123860616   0.5142023712
N   -4.3211725578  -0.0032447112   0.2552416289
C    2.1152798976  -1.1678271928   0.3332948361
C    1.0671729813  -2.1010149025   0.3561149054
C   -2.6521669635  -1.5151205382   0.2166871304
C    1.8561299765   0.2917795108   0.2740435034
C   -3.0260284558  -0.1588637027   0.0764924450
C   -1.3930814177  -2.2733557585   0.0959447155
C   -3.8468876709  -2.1494209336   0.4930861127
C    3.4341316253  -1.6014819652   0.3747840620
C    1.3756388134  -3.4609036586   0.4084717415
C    1.4980119439   0.8863042679  -0.9293401047
C    1.9858690096   1.0808871698   1.4124778796
C    3.7042926021  -2.9524505855   0.4159438372
C    2.6937675727  -3.8882502010   0.4309736414
C   -2.2344793459   1.0366732696  -0.2934274161
C   -6.2021050930  -1.4109564206   0.8071197910
C    1.2756474031   2.2514852788  -0.9941356195
C    1.7604953936   2.4451827748   1.3500457708
C    1.4028416465   3.0332282906   0.1474507869
H   -0.3360637297  -0.6431949422   0.6614247052
H   -4.0639958235  -3.1871934186   0.6864380492
H    4.2422171130  -0.8816494350   0.3604060159
H    0.5978807388  -4.2038463708   0.4469361645
H    1.4010162339   0.2859287464  -1.8238120441
H    2.2613962851   0.6313797564   2.3569999918
H   -2.8546061657   1.9257024374  -0.4014974334
H    2.9197893860  -4.9453530663   0.4703467764
H   -6.3395613740  -1.6781082312   1.8522574811
H   -6.7322149063  -0.4871878433   0.6019534999
H   -6.6053727931  -2.2000243883   0.1781440645
H    1.8597887101   3.0530081129   2.2385737440
*