! 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  -2.6471852024   3.6255919194   0.3083902878
N   -0.8163075981  -2.4470504678  -0.6750167677
N   -0.8879569635  -3.3856408431   0.2719980887
N   -2.9163924107  -2.5344572740  -0.1427896791
N    1.8679355178  -2.0776590468   1.9028188448
C    1.1833362532  -0.9877780660  -0.3717940513
C    2.5044549447  -0.6374544637  -1.1004003027
C    0.4472831733  -2.0481437303  -1.2315071421
C    3.5298377311   0.1853090971  -0.3268078108
C    0.2524332972   0.1979249954  -0.1562662723
C    3.1401583744   1.6173666239   0.0215369183
C    1.5415399191  -1.6025393545   0.9083446434
C   -0.3681116867   0.4437839402   1.0620688507
C   -0.0557166938   1.0238488386  -1.2346292370
C    4.3028647073   2.3851019926   0.6325942090
C   -1.2590414271   1.4963624060   1.2141126720
C   -0.9430169647   2.0776539870  -1.1001526159
C   -2.0325436074  -1.9426276097  -0.9070067449
C   -1.5386052986   2.3085400399   0.1300774807
C   -2.1633502225  -3.4047767507   0.5592176503
H    2.2532165346  -0.1349508201  -2.0367339243
H    2.9730239586  -1.5826099555  -1.3861492548
H    1.0660120412  -2.9360822097  -1.3510217191
H    0.2726498164  -1.6306336251  -2.2222401182
H    4.4303369837   0.2121528192  -0.9477252503
H    3.8220918557  -0.3467396454   0.5839663652
H    2.3014086707   1.6286126033   0.7206986613
H    2.7919884128   2.1331713914  -0.8783580200
H   -0.1676788884  -0.1776561481   1.9252694915
H    0.3938742349   0.8619571389  -2.2058175938
H    4.0175951952   3.4092143849   0.8778328044
H    5.1534316026   2.4361476310  -0.0504180331
H    4.6499416358   1.9133315777   1.5541968777
H   -1.7269053148   1.6706836210   2.1732983896
H   -1.1634395098   2.7095407128  -1.9496571429
H   -2.2199658028  -1.1681178403  -1.6343684037
H   -2.5691694970  -4.0774006417   1.2988477240
*