! 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   1.0425178829  -0.8345381025  -2.2220584894
Cl   5.8135585247  -0.1727834574   0.0527012086
O   -0.8592350951  -0.8051372433   0.0104980877
O   -0.5789621151   0.5834723091   1.7395135812
N   -2.0743587752   1.7234894705  -0.4363277212
N   -2.8227607011   1.2327343289  -1.4276327205
N   -4.1219247755   2.1590764763   0.1497993634
C   -0.2017766616   0.3579696718   0.4139314252
C   -1.3820300869  -1.4888281984   1.1498201377
C   -0.8004982700  -0.6945133651   2.3141461346
C   -2.8993703706  -1.5023024714   1.1289316361
C   -0.6445708615   1.5670608601  -0.4149088114
C    1.3151130053   0.2016105388   0.2951529212
C   -3.5002147450  -2.1232861669  -0.1237907329
C    1.9414850073  -0.3264326724  -0.8325952816
C    2.1351064523   0.6356740061   1.3322870971
C   -5.0203613702  -2.0909876227  -0.1017843327
C    3.3207196258  -0.4472440335  -0.9148717192
C    3.5145045650   0.5288893756   1.2776485065
C   -2.8615944011   2.2580409541   0.4985840512
C    4.0953558154  -0.0214158218   0.1493830186
C   -4.0352632823   1.5176539084  -1.0317435320
H   -1.0007120422  -2.5139693287   1.1429219293
H   -1.4868691388  -0.5849498733   3.1528776317
H    0.1344706196  -1.1296887437   2.6818378198
H   -3.2778599305  -0.4825450898   1.2582153704
H   -3.2308461077  -2.0638004119   2.0085653780
H   -0.3044957602   1.4774795258  -1.4436877803
H   -0.1943739226   2.4682561546   0.0013563216
H   -3.1547580229  -3.1572775676  -0.2208480159
H   -3.1393215627  -1.5888039108  -1.0039531251
H    1.6912954023   1.0719579256   2.2159116216
H   -5.4434248482  -2.5322250949  -1.0049853716
H   -5.4206453177  -2.6416050803   0.7517150388
H   -5.3905201101  -1.0657784900  -0.0328139948
H    3.7791942491  -0.8663237491  -1.7995109127
H    4.1188944061   0.8717867672   2.1053687479
H   -2.4808613712   2.7285465781   1.3903410285
H   -4.8967969094   1.2648792683  -1.6291546451
*
