! 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 "1-OCTANOL"
end
*xyz 0 1
Cl   0.3079513459   0.8824619352  -2.0416068177
F    5.0623072719  -0.8510965109   0.0957633559
O   -0.6864159967  -0.1870029147   2.2761402284
N   -2.1767305514  -3.4043816453   0.4211140271
N   -2.9932743176  -1.9582442112  -1.2509915973
C   -0.4723763457  -0.0846394287   0.8844998474
C    1.0158607923  -0.3276231135   0.6126384845
C   -0.8889653945   1.3077413084   0.3860197339
C   -1.3688813623  -1.1636407331   0.2984175495
C    1.5150149897  -1.4904885079   0.0403927245
C    1.9222731332   0.6515711006   1.0169042444
C   -0.5605384280   1.8239947958  -0.8694373180
C   -1.6530104351   2.1207099460   1.2209253798
C   -1.4097459727  -2.4279091919   0.8817742577
C   -2.2213251487  -0.9859967345  -0.7797691293
C    2.8788015956  -1.6770062749  -0.1355211703
C    3.2871486415   0.4854425932   0.8501678095
C   -0.9452526803   3.0988318311  -1.2590228000
C   -2.0502861271   3.3933892364   0.8421353880
C    3.7432670537  -0.6827828625   0.2716609615
C   -1.6882527735   3.8898321201  -0.3988083013
C   -2.9263204278  -3.1232515344  -0.6335942032
H    0.8543603206  -2.2703140962  -0.3112860607
H    1.5747162717   1.5817714502   1.4516871999
H   -1.9490801424   1.7528888796   2.1929506141
H   -0.0078398793   0.3114725675   2.7474926617
H   -0.8041752991  -2.6664278570   1.7485958636
H   -2.3136282085  -0.0314377702  -1.2820311883
H    3.2548337697  -2.5837544661  -0.5904176294
H    3.9803770440   1.2560423164   1.1601814952
H   -0.6677390468   3.4698102767  -2.2362747907
H   -2.6421811253   3.9921183248   1.5213579443
H   -1.9854781834   4.8832659404  -0.7069666212
H   -3.5491611085  -3.9215792796  -1.0197320828
*