! 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   1.1306679600  -1.5937799964   2.0446254879
Cl  -6.8336705134   0.2639283551   1.0432641699
O    3.8380711242  -1.0515997728   1.0453448140
O    4.1770148683   0.3056734400  -0.6736895698
O   -1.8973943439  -0.8207086177  -1.9219014152
N    2.3219523871   2.2422824422   0.6876128102
N    1.0110016151   2.3306456588   0.9361258975
N    1.5897084219   3.7233638192  -0.7250730389
C    3.2567529023  -0.0020745642   0.3356700564
C    4.5716590276  -1.8532238650   0.1193002379
C    3.1288985475   1.2038492118   1.2758222512
C    4.7047396001  -0.9379234308  -1.1106067115
C    1.8966954008  -0.3479740255  -0.2667563655
C    3.8777542090  -3.1654237433  -0.1744880768
C    0.8856507433  -0.9970459183   0.4370544794
C    1.5783758491   0.1257531884  -1.5364189819
C   -0.3795654424  -1.1783100804  -0.0951897948
C    0.3142140897  -0.0126908385  -2.0808183641
C   -0.6631015383  -0.6645206526  -1.3509458108
C    2.6443839047   3.0635501922  -0.3144330656
C    0.6216768551   3.2283918767   0.0706004309
C   -3.0178359781  -0.5501376094  -1.1800768569
C   -4.1508696261  -1.3009878076  -1.4576396005
C   -3.0557772908   0.4590969389  -0.2259757170
C   -5.3310074068  -1.0457298395  -0.7786322639
C   -4.2340218033   0.7067076738   0.4608665252
C   -5.3629742591  -0.0470879168   0.1818631991
H    5.5474008690  -2.0479166479   0.5693711486
H    4.1192504940   1.5962333224   1.5064596360
H    2.6590066077   0.9053035100   2.2100305594
H    5.7381348382  -0.7861636598  -1.4190116175
H    4.1414937704  -1.3277492356  -1.9655508860
H    4.4909964811  -3.7603525962  -0.8526611670
H    2.9058001730  -3.0154804356  -0.6467333991
H    3.7322000729  -3.7468232461   0.7357132327
H    2.3286462844   0.6462391190  -2.1147315436
H   -1.1357040608  -1.7034959448   0.4734068153
H    0.0915234200   0.3870663535  -3.0609281470
H    3.6488663927   3.1639815491  -0.6933566110
H   -0.4051896221   3.5541683207   0.0183031539
H   -4.1146184403  -2.0822728075  -2.2054458325
H   -2.1813267281   1.0597970546  -0.0078019888
H   -6.2127164344  -1.6323515206  -0.9964904236
H   -4.2637658268   1.4903020784   1.2052265567
*