! 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  -6.7485298926   0.5826950935   0.2060334664
F    2.7578323707  -2.7907606969   1.3931397170
F    4.0524156624  -2.2384248464  -0.2076134454
F    3.7749202358  -0.9255388716   1.4926023676
O    4.4898795177   0.3772363117  -0.7959420534
O   -1.5305881697  -2.0240374918  -0.3618967606
N    1.8644099872   2.3522886385   0.7211867914
N    1.1921964109   3.2911536878   0.0484721042
N   -0.1488221087   2.2903717282   1.5418237713
C    3.2470779925   1.0326599792  -0.8932618188
C    2.0560469714   0.0686475884  -0.8401854295
C    3.1990185312   1.9478653970   0.3609763039
C    3.2539361134   1.8964990313  -2.1555172650
C    1.9772533602  -1.1056738312  -0.0646415694
C    0.8924555986   0.4589478004  -1.5016561023
C    0.7617982106  -1.7702691139   0.0756954459
C   -0.3121327915  -0.2063715114  -1.3809091048
C   -0.3804478926  -1.3098776017  -0.5535144826
C    3.1470844942  -1.7471276774   0.6446243537
C    1.0471406780   1.7548559257   1.5911261149
C   -0.0037529167   3.2166922881   0.5745269528
C   -2.7234824594  -1.3598791807  -0.2298714774
C   -2.8306263520  -0.1397892166   0.4260906310
C   -3.8504564052  -1.9888232546  -0.7377194063
C   -4.0737154020   0.4590928579   0.5557790932
C   -5.0948578486  -1.3960650053  -0.5951194280
C   -5.1971668355  -0.1706478693   0.0435312869
H    3.6157377546   1.4269517474   1.2189690018
H    3.8055939344   2.8376070763   0.1957010780
H    3.2272907520   1.2821079843  -3.0571951877
H    2.4329916302   2.6074982391  -2.2032899157
H    4.1754523964   2.4792318658  -2.1689551846
H    0.9013413181   1.3295206091  -2.1378730536
H    0.6774735417  -2.6599224850   0.6824539453
H    4.6892705653  -0.0221480939  -1.6502709785
H   -1.1780724646   0.1528033418  -1.9211083641
H    1.3666586213   0.9654222103   2.2534828778
H   -0.8037833376   3.8667778138   0.2568445992
H   -1.9616243703   0.3574857309   0.8394252857
H   -3.7604066047  -2.9426841957  -1.2406200431
H   -4.1581455924   1.4117184558   1.0604784952
H   -5.9725401704  -1.8886280646  -0.9901076512
*
