! 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   1.4962987047   0.3488965678  -2.1672619617
Cl   4.1824645479  -3.7051072475   0.0073618294
O   -1.1092939283   0.3504606146  -0.8206434076
O   -1.2845501512  -0.1546056568   1.3483237018
N   -0.8327891566   2.6185568755   0.8732643031
N   -1.1219506450   3.4282992620  -0.1497315331
N   -2.5313426545   3.7886283456   1.5593340840
C   -0.3793686155   0.2501550599   0.3659872931
C   -2.3738606451  -0.2959634489  -0.6743441796
C   -2.2580919788  -0.9542517472   0.6972126105
C    0.1884292362   1.6107813643   0.7834728389
C    0.7695911782  -0.7499581073   0.2318793205
C   -3.5046108223   0.7132617188  -0.7866762906
C   -4.8647258039   0.0363852427  -0.8679082516
C    1.6414645074  -0.7728973511  -0.8554565666
C    1.0085706892  -1.6597004103   1.2575973221
C    2.6889949772  -1.6782440501  -0.9347086618
C    2.0474351797  -2.5737253381   1.2063685757
C   -1.6871375495   2.8366141244   1.8739992855
C    2.8783093122  -2.5761954453   0.1007262805
C   -2.1402120039   4.1058236030   0.3102530481
H   -2.4724996341  -1.0487143221  -1.4619572951
H   -3.1773671183  -0.9208539208   1.2810123448
H   -1.9303588044  -1.9961307652   0.6248347423
H    0.9391093845   1.9524940064   0.0754928860
H    0.6753706016   1.5112379415   1.7530159499
H   -3.3474150153   1.3215589388  -1.6796945823
H   -3.4780554585   1.3943399319   0.0687413607
H   -5.0738114183  -0.5719061939   0.0138326154
H   -5.6612999868   0.7759217298  -0.9449720063
H   -4.9340159476  -0.6147899839  -1.7408294845
H    0.3690603846  -1.6618103265   2.1287564232
H    3.3466297126  -1.6772491131  -1.7926026803
H    2.2001234500  -3.2677575929   2.0206719704
H   -1.6455678843   2.3059276446   2.8112618841
H   -2.6175001196   4.8726273410  -0.2792690884
*
