! 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  -3.4163190038   2.8824422623  -3.3411756642
O    1.5517637575   1.2968164430   0.3284076873
O    2.2890586664  -2.8222154330  -1.1176388820
N    1.5752961513  -0.8872356766  -0.1780808148
N    1.9144931881  -2.8178924966   1.1219840356
N    1.1510406445  -4.0215299967   2.7984936858
C    1.3650170117   0.0568312866   0.9636847732
C    1.4789869458  -0.1608896829  -1.4691470104
C    0.9985660191   1.1995479510  -0.9601625303
C   -0.0689004510  -0.0620381705   1.4993707979
C    2.4054112000  -0.0300625450   2.0646052959
C    2.8446704387  -0.0095784823  -2.1360424038
C    0.4554615102  -0.7654467634  -2.4186240801
C   -0.5113631177   1.1110214098   2.3743869308
C    1.9445287042  -2.1696031685  -0.1553924923
C   -2.0276569815   1.3400477340   2.3116009213
C   -2.4608361350   1.7441446074   0.9296630510
C    3.0148703405  -3.3240485945   1.7679923654
C    0.8188850882  -3.2909036744   1.7738311214
C   -2.1559813619   3.0127790682   0.4390726844
C   -3.0902576928   0.8462087792   0.0724863359
C    2.5189922518  -4.0419789823   2.8118469475
C   -2.4530883640   3.3742461791  -0.8651936383
C   -3.3913501072   1.1859084719  -1.2395700605
C   -3.0628994556   2.4495194180  -1.6992082735
H    1.3699952852   2.0249281600  -1.5673922495
H   -0.0972820884   1.2642641307  -0.9406860384
H   -0.1649045810  -0.9849914776   2.0705413150
H   -0.7457549782  -0.1726186224   0.6491415286
H    2.2416359102  -0.8719719295   2.7319571935
H    2.3454409521   0.8728892735   2.6736697281
H    3.4165176755  -0.0892747928   1.6610442916
H    3.2615119929  -0.9651469733  -2.4453619575
H    3.5596904040   0.4795887177  -1.4728106662
H    2.7435055914   0.6099553849  -3.0285223437
H   -0.4888562217  -0.9682489831  -1.9106097208
H    0.2507294463  -0.0543926838  -3.2211611788
H    0.8045883449  -1.6870125536  -2.8792706167
H   -0.2202321823   0.9378628303   3.4128857334
H   -0.0141801033   2.0324983439   2.0651979291
H   -2.2956191174   2.1186596916   3.0296977932
H   -2.5563669740   0.4345279051   2.6196194890
H    4.0210054696  -3.1107090228   1.4478520220
H   -0.1848469508  -3.0945716445   1.4306518817
H   -1.6703590865   3.7373545972   1.0823668030
H   -3.3454913160  -0.1458625117   0.4258448763
H    3.0742159273  -4.5707176064   3.5707277099
H   -2.2063227549   4.3639953747  -1.2257091018
H   -3.8713454290   0.4676331735  -1.8907193303
*