! 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   5.9165037544   1.6596337461  -0.5140346315
O   -2.4754560132  -1.1697299517  -1.3247480410
N   -2.5489794740   1.5146947932  -0.0564666913
N   -2.7303695304   1.6463130344  -1.3745244590
N   -2.1405532621   3.6095767086  -0.4759239954
C   -1.8927559788  -0.8801722887  -0.0693772857
C   -1.8964840092  -2.1592187276   0.7977000879
C   -0.3888143487  -0.5852555367  -0.2671096714
C   -0.5715638439  -2.8849584898   0.4601208295
C    0.1584676243  -1.9859020832  -0.5457310579
C   -3.1736877356  -3.0195418876   0.7479011457
C   -2.6901406866   0.2359064027   0.6136772305
C    0.3022315328   0.0540750600   0.9499676230
C   -3.2762863892  -3.9739314363  -0.4399985545
C   -3.3029907331  -3.8164503691   2.0443323105
C    1.7114542941   0.4598122622   0.6268775962
C   -2.1951714292   2.6892348682   0.4600280747
C    2.8055924461  -0.2930188215   1.0406141230
C    1.9490889347   1.5988485322  -0.1405184734
C    4.1015950883   0.0676598178   0.6968219917
C    3.2340497032   1.9766289361  -0.4948555858
C   -2.4738050321   2.9150668298  -1.5763062505
C    4.3033417464   1.2006016991  -0.0730111041
H   -1.8192271087  -1.8041570394   1.8313917202
H   -0.2480467320   0.0809094768  -1.1248733947
H   -0.7271343671  -3.8846333498   0.0564588982
H    0.0254193289  -3.0143456779   1.3644287778
H    1.2442087613  -2.0440999259  -0.4548470161
H   -0.0846936178  -2.2821836868  -1.5666712277
H   -4.0307993282  -2.3382237410   0.7006167757
H   -2.3720109568   0.3837897781   1.6436801321
H   -3.7480008891  -0.0323578327   0.6422168008
H    0.3010136386  -0.6325131570   1.8002486330
H   -0.2388922802   0.9437941930   1.2764447341
H   -2.5202468407  -0.3401041552  -1.8231911435
H   -4.2679995943  -4.4295694920  -0.4660694524
H   -3.1152004509  -3.4786224987  -1.3942144324
H   -2.5584819930  -4.7928565424  -0.3632111306
H   -2.4473387418  -4.4815638507   2.1870673228
H   -4.2002932670  -4.4383425115   2.0395147787
H   -3.3607385800  -3.1620462730   2.9160901644
H   -2.0020111268   2.8334125837   1.5112559213
H    2.6525210915  -1.1783002098   1.6457604492
H    1.1161076919   2.2112022250  -0.4680614382
H    4.9390103810  -0.5318261829   1.0269553763
H    3.3966641823   2.8646004200  -1.0903497180
H   -2.5298955164   3.3539480239  -2.5598173677
*