! 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  -6.4233845985   4.7374653340   0.5297086811
O    1.8223794401   1.0466049665   0.1424895018
O    1.3145992473  -2.9232304365   1.1980122508
N    2.3038844272  -1.1595931793   0.1586967116
N    3.1136785619  -3.3378699547  -0.1206088761
N    4.0813368411  -4.6112153195  -1.6332000238
C    1.2761016851  -0.1683587384   0.6009991175
C    3.5095502415  -0.4579809410  -0.3627127552
C    3.2230547206   0.9280938623   0.2135337805
C   -0.0491519195  -0.3916846015  -0.1231138335
C    1.1270170221  -0.1250808830   2.1207162062
C    4.8351274124  -0.9737680214   0.1788124101
C    3.5302381578  -0.3869088825  -1.8867403998
C   -1.1015375694   0.6732075233   0.1693139951
C    2.1697523802  -2.4500414913   0.4753864751
C   -2.3651169192   0.4524943163  -0.6644406275
C   -3.4010073810   1.5045067687  -0.3893972987
C    3.9575854551  -4.1765428252   0.5648148365
C    3.2198595237  -3.6544098238  -1.4377728151
C   -4.3750857331   1.3163845719   0.5875775901
C   -3.3811952735   2.7185758843  -1.0720618226
C    4.5586644862  -4.9349052810  -0.3894902055
C   -5.3071971079   2.3023276066   0.8777437523
C   -4.3032631115   3.7173450122  -0.7972858844
C   -5.2616766526   3.4982130724   0.1796031766
H    3.5858792593   1.0099627404   1.2456387186
H    3.6801189546   1.7249847358  -0.3713482258
H   -0.4460007737  -1.3697388496   0.1532945379
H    0.1491975100  -0.4212323353  -1.1986058208
H    2.0948323959  -0.1161185540   2.6232265156
H    0.5596460708  -0.9694847823   2.5010169014
H    0.6005865766   0.7858325567   2.4044852370
H    5.1922544374  -1.8633116863  -0.3363431301
H    4.7879295727  -1.1819031161   1.2481657084
H    5.5904017289  -0.2003824035   0.0294591617
H    2.5834183726  -0.0288464150  -2.2909710127
H    4.3140832524   0.3005596206  -2.2064380520
H    3.7510573279  -1.3508408993  -2.3400317142
H   -1.3736867794   0.6602140610   1.2276108031
H   -0.7065183063   1.6699423964  -0.0413790174
H   -2.7742474612  -0.5373396950  -0.4478060618
H   -2.1042907487   0.4602171981  -1.7257713215
H    4.0726685062  -4.1320098111   1.6347024198
H    2.6043581606  -3.1949764498  -2.1941808427
H   -4.4147323338   0.3821258773   1.1345074208
H   -2.6355706401   2.8921354524  -1.8387393390
H    5.3106867094  -5.6944512516  -0.2493873288
H   -6.0589740764   2.1355822547   1.6372742447
H   -4.2741841398   4.6516018140  -1.3414974834
*