! 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  -4.4009630297   1.2389440063  -2.6577307865
O    1.5743074791   1.4125461015  -0.6514289236
O    2.0646860255  -1.2549126482   2.4646266633
N    1.7188351733  -0.6165517069   0.3118018089
N    1.9033624938  -2.8821799237   0.8966006077
N    1.3106835597  -5.0020512183   0.9132406688
C    1.7852752222   0.8442439088   0.6187856574
C    1.1570245947  -0.8322917412  -1.0503955013
C    0.6531860198   0.5883421334  -1.3228366548
C    0.6584203445   1.2513933470   1.5800682714
C    3.1562802562   1.2807747257   1.0951752921
C    2.2302010176  -1.1918693544  -2.0737467266
C   -0.0094191289  -1.8079726934  -1.1085200847
C    0.4394724425   2.7621520852   1.6723547021
C    1.8990209571  -1.5098572564   1.2874235997
C   -1.0250566673   3.1114443289   1.9641268266
C   -1.9256039286   2.6799245796   0.8403202310
C    2.8396894622  -3.5492379867   0.1454287821
C    1.0178919133  -3.8091132892   1.3451458573
C   -1.8812960095   3.3358237379  -0.3890140128
C   -2.7633220651   1.5753059740   0.9626200187
C    2.4526272378  -4.8525918324   0.1703184637
C   -2.6393927914   2.9047969432  -1.4657067357
C   -3.5281211706   1.1240031335  -0.1047200310
C   -3.4554521964   1.7939829171  -1.3137071936
H    0.6627479764   0.8323387107  -2.3846027244
H   -0.3700157149   0.7316303965  -0.9508930943
H    0.8633428306   0.8525675632   2.5715706258
H   -0.2619708355   0.7625361677   1.2504599087
H    3.1930056789   2.3683426745   1.1651290130
H    3.9328868089   0.9609089306   0.4005867573
H    3.3837119281   0.8822424109   2.0803272066
H    2.6148799835  -2.1989198107  -1.9313233352
H    3.0681031480  -0.4952616889  -2.0405568071
H    1.8004085160  -1.1532802853  -3.0752478590
H    0.3022145543  -2.8508239078  -1.1146976109
H   -0.7104242572  -1.6530340165  -0.2871380693
H   -0.5529826433  -1.6395589275  -2.0397560406
H    1.0683896423   3.1871574861   2.4573107843
H    0.7311520263   3.2579915385   0.7446008540
H   -1.1080816007   4.1901560396   2.1149389839
H   -1.3415197471   2.6379233606   2.8964760177
H    3.6994815241  -3.0607047878  -0.2787621359
H    0.1735358824  -3.5456508487   1.9625736607
H   -1.2395428778   4.1997094057  -0.5149309328
H   -2.8197019700   1.0456253072   1.9058975565
H    2.9417439394  -5.6910399272  -0.2983974163
H   -2.5911215829   3.4275984412  -2.4113278471
H   -4.1677219293   0.2595411507   0.0107199467
*