! 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   5.3591910573   3.0942722905  -1.0197483186
O   -2.1811420502  -0.0405577253   2.1536429772
N   -0.9240665261  -2.7419155007   0.0729142592
N   -1.5741587216  -3.1539834304  -1.0179791110
N    0.6125736345  -3.6208031179  -1.1932425927
C   -1.8133641198  -0.5381337643   0.8793551689
C   -2.8783099468  -0.2201279811  -0.2078569953
C   -0.5514086723   0.1823319906   0.3574439539
C   -2.4046293939   1.1108227965  -0.8533367323
C   -1.1062305407   1.5069066277  -0.1477055039
C   -4.3449875768  -0.1552303267   0.2490136264
C   -1.5755787443  -2.0342989064   1.1493293776
C    0.5863382283   0.3043730186   1.3684901702
C   -5.2503710798   0.0720415070  -0.9607277228
C   -4.8304833063  -1.3962726937   0.9913928019
C    1.7853535623   0.9961212554   0.7846606830
C    0.3735672235  -3.0245353602  -0.0507748734
C    2.0530678127   2.3308666305   1.0736098063
C    2.6454870975   0.3271738403  -0.0836064687
C    3.1453461237   2.9857654499   0.5229642933
C    3.7433794490   0.9620225017  -0.6437919287
C   -0.6148097933  -3.6705729710  -1.7421531441
C    3.9844140624   2.2913717912  -0.3324701363
H   -2.8154616256  -1.0115267438  -0.9601550660
H   -0.1880608610  -0.3690132453  -0.5190553600
H   -3.1551666289   1.8979470052  -0.7668448714
H   -2.2264866266   0.9698026351  -1.9202615624
H   -0.4122545113   2.0319382958  -0.8038823842
H   -1.3051847149   2.1824490142   0.6918413584
H   -4.4641516538   0.7084545310   0.9151001592
H   -2.5073786136  -2.5477811364   1.3750094551
H   -0.9368928723  -2.1417838495   2.0271419031
H    0.8845941253  -0.6850753733   1.7271587425
H    0.2400153963   0.8556539845   2.2440419055
H   -2.4850527478   0.8688830396   2.0650357997
H   -6.2893487253   0.1930142938  -0.6487692028
H   -4.9809523863   0.9600550219  -1.5333134083
H   -5.2104475811  -0.7820219742  -1.6416945553
H   -4.3303696123  -1.5380265085   1.9474061210
H   -4.6863364648  -2.2992478167   0.3932954871
H   -5.8992894378  -1.3171406662   1.2002376186
H    1.0982554240  -2.8056117757   0.7177623507
H    1.4008308225   2.8754457757   1.7454054880
H    2.4658286973  -0.7129634515  -0.3309654483
H    3.3372140260   4.0224379416   0.7642458468
H    4.4033948693   0.4237171515  -1.3103793055
H   -0.8112456976  -4.1103305753  -2.7072039166
*