! 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   0.8690622389  -0.6607887532  -2.2397044484
Cl   5.7090748785  -0.5062421978  -0.0146907962
O   -0.9957411163  -0.6593364733   0.0233085356
O   -0.5950790769   0.5770142848   1.8399975088
N   -2.0266324672   1.9164289541  -0.3247501904
N   -2.7220665587   2.4874722342   0.6612932532
N   -4.0885770084   1.8480043704  -0.9948229378
C   -0.2476578147   0.4180543200   0.5013583712
C   -1.5463343534  -1.3919142995   1.1192222810
C   -0.9092272631  -0.7142248037   2.3298365898
C   -3.0632442449  -1.3108801802   1.1145843382
C   -0.6080171565   1.7089425681  -0.2459092218
C    1.2515029308   0.1559094683   0.3451371246
C   -3.7295284545  -1.8739186244  -0.1366245074
C    1.8232101293  -0.3217176936  -0.8335606620
C    2.1133297926   0.4389205465   1.4003144834
C   -3.6051779766  -3.3859498499  -0.2686464947
C    3.1894330031  -0.5271707570  -0.9532088725
C    3.4805115605   0.2380164751   1.3108888688
C   -2.8539089534   1.5322668689  -1.3004808429
C    4.0067345400  -0.2488058891   0.1282472813
C   -3.9516270040   2.4276126542   0.2151442088
H   -1.2168186307  -2.4315595343   1.0411390831
H   -1.5858498265  -0.6092377876   3.1776596802
H   -0.0106057638  -1.2425707275   2.6666326246
H   -3.3629217252  -0.2689610514   1.2627598825
H   -3.4245117885  -1.8583937842   1.9916375402
H   -0.2152230863   1.6832271001  -1.2605408508
H   -0.1506246573   2.5605073053   0.2572172040
H   -3.3178089001  -1.3895258465  -1.0249998300
H   -4.7880494054  -1.6034507923  -0.1133980620
H    1.7113720679   0.8303733189   2.3245613888
H   -4.0234856761  -3.8957983910   0.6023784257
H   -4.1409054915  -3.7487629742  -1.1470715672
H   -2.5680071243  -3.7106686465  -0.3713616367
H    3.6057098959  -0.8989965122  -1.8792685882
H    4.1193095593   0.4643256003   2.1532803383
H   -2.5131872640   1.0452123364  -2.2008754910
H   -4.7818240235   2.8236292367   0.7797920755
*