! 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  -3.5971056793   2.7523542765  -3.3701587384
O    1.8369239410   1.2742506128   0.4330285186
O    2.2113283244  -2.8573837162  -1.1083124273
N    1.6448523885  -0.8823457773  -0.1492844767
N    1.6841431144  -2.8756903376   1.0995386146
N    2.1895856895  -4.1715293511   2.8035434593
C    1.4656401501   0.0474637030   1.0098007608
C    1.7116962893  -0.1132733274  -1.4175061820
C    1.3636204151   1.2802706992  -0.8897527042
C   -0.0062504905   0.0762396022   1.4471522518
C    2.4142006136  -0.1883816882   2.1702762346
C    3.1240347355  -0.1045314031  -1.9982582875
C    0.6822100909  -0.5678746714  -2.4407110954
C   -0.3893290676   1.2873918584   2.2936070490
C    1.8706936454  -2.1984126678  -0.1487701925
C   -1.9024749155   1.5414300143   2.2824432790
C   -2.3983403328   1.8631938803   0.9000232952
C    0.4932057762  -3.2124881864   1.6955982031
C    2.6685698025  -3.5021555446   1.7953042747
C   -2.0833182434   3.0836071036   0.3043235050
C   -3.1093365395   0.9336652387   0.1466878861
C    0.8331847776  -4.0049935395   2.7489808021
C   -2.4509595285   3.3678908821  -1.0013865294
C   -3.4840256460   1.1968461893  -1.1640526975
C   -3.1453891883   2.4140322528  -1.7296470441
H    1.8688640452   2.0718906436  -1.4421883853
H    0.2838759347   1.4748386178  -0.9346092685
H   -0.2266699124  -0.8310344511   2.0090611011
H   -0.6360527474   0.0313889889   0.5555522874
H    2.0989757884  -1.0070056219   2.8125620690
H    2.4344234384   0.7085848893   2.7905998665
H    3.4321589510  -0.3738764348   1.8269143786
H    3.8445671977   0.2877589530  -1.2790771722
H    3.1497542868   0.5382331815  -2.8795494805
H    3.4505848872  -1.0951317246  -2.3050771685
H    0.9321456729  -1.5276269465  -2.8880793045
H   -0.3118753174  -0.6419494321  -1.9966938861
H    0.6276058134   0.1666576507  -3.2465522035
H   -0.0629727928   1.1455777279   3.3267018686
H    0.1151619663   2.1857029787   1.9319227480
H   -2.1228898588   2.3698669830   2.9599231803
H   -2.4306672369   0.6687122638   2.6740275615
H   -0.4613386236  -2.9035296681   1.3054847888
H    3.7092243280  -3.4078719919   1.5250323984
H   -1.5354857770   3.8320182407   0.8652089354
H   -3.3731332575  -0.0232046114   0.5815158048
H    0.1697161552  -4.4722276326   3.4600234734
H   -2.1951028363   4.3215907239  -1.4435284398
H   -4.0298532203   0.4555886056  -1.7323713720
*