! 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  -1.4325997703  -0.3907447992  -2.2480971084
Cl  -4.9493546913   2.9207506445   0.0212758315
F    2.9712292716  -0.2634018628  -1.2890288796
F    3.9832340494   1.4397280169  -0.4363051778
F    4.2705564283  -1.9299046274   0.4883603332
F    5.3235323033  -0.2000301783   1.3095720289
O    2.6593511966   0.2145695234   0.8764496164
N   -0.8544281358  -2.1396713044   0.9233185687
N   -0.6021861995  -3.0609826249  -0.0099964288
N   -2.7891308882  -3.0337682989   0.4942114622
C    0.2898521011  -0.0540375081   0.3330181718
C    0.1589541728  -1.2004657974   1.3425366100
C    1.4113857536   0.9069981052   0.7206966402
C   -1.0136606084   0.6975140806   0.2150599413
C   -1.8518623492   0.6056424560  -0.8939783674
C   -1.4580571632   1.4895406016   1.2730676174
C    3.5261984728   0.1978387064  -0.1388019585
C   -3.0592448715   1.2850969763  -0.9673670947
C   -2.6572144244   2.1776867835   1.2333977141
C   -2.1586043888  -2.1248573919   1.1983617066
C   -3.4479724763   2.0704302037   0.1023480951
C    4.7219236172  -0.6881367083   0.2022621156
C   -1.7868683366  -3.5678077834  -0.2278535332
H    0.5367432660  -0.4923160963  -0.6339523767
H    1.0972048814  -1.7431311187   1.4412982883
H   -0.1105518813  -0.8284103411   2.3310846826
H    1.4866824653   1.7128160974  -0.0109662975
H    1.2263971850   1.3651390263   1.6908023529
H   -0.8581623351   1.5729846398   2.1700177004
H   -3.6844712585   1.1957296024  -1.8442932150
H   -2.9649924789   2.7828575449   2.0742409609
H   -2.5982545048  -1.4609631595   1.9264135219
H    5.4415614854  -0.7371272566  -0.6159191938
H   -1.9352693838  -4.3690927838  -0.9349372377
*
