! 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   0.6631581335   0.9524414108  -2.4055191071
S    1.4581775331   1.4914281942   0.8779310629
O    2.1728407111   1.4772972900   2.1341822127
O    1.0989919898   2.7477026941   0.2589180336
O    0.8904465100  -1.2634585359   1.7135280052
O   -3.7351636982   2.3093395600  -0.5496625295
O   -5.5993827659  -1.9239685695  -0.1620613804
N    3.4143874237  -0.2961941119  -0.0278186964
N    2.7934201550  -0.5951389349  -2.1615295244
N    0.0009744999   0.7077639986   1.0323442613
N   -1.3063506522  -1.2030089129   1.1814474860
N   -2.5105507033   0.5879347675   0.3164975016
N   -3.4524694756  -1.5631199700   0.5209466310
C    2.3200650437   0.5145650044  -0.2610398197
C    3.6679794669  -0.9435109406  -1.2187285922
C    1.9871013368   0.2746821968  -1.5805967352
C    4.1727425893  -0.5100368763   1.0836062411
C    4.7430920237  -1.8388508997  -1.3019493201
C    5.2155184985  -1.3771055937   1.0094969321
C    5.5105006678  -2.0511295294  -0.1936400589
C   -0.0702474876  -0.6244370991   1.3420481480
C   -2.4713348095  -0.6910548534   0.6491942809
C   -3.6491402155   1.0401000978  -0.1999616306
C   -4.5816660123  -1.1004203916   0.0031193771
C   -4.7516571456   0.2238704067  -0.3852808387
C   -2.6012760174   3.1542750627  -0.3722879085
C   -5.4413343389  -3.2942713843   0.1950701658
H    3.9135994865   0.0262967513   1.9795711834
H    4.9300856653  -2.3366495598  -2.2424574132
H   -0.8510638735   1.1581721084   0.6660075735
H    5.8136825074  -1.5403141060   1.8934829302
H    6.3450605504  -2.7370988828  -0.2328954345
H   -1.3418814195  -2.1861937698   1.4174798019
H   -5.6768400744   0.5894394061  -0.8063486753
H   -2.9103138115   4.1374870595  -0.7166185569
H   -1.7536258799   2.8243210387  -0.9742745773
H   -2.3080770558   3.2244587984   0.6757125254
H   -4.6478217271  -3.7720872152  -0.3798153892
H   -6.3894464497  -3.7699484239  -0.0419786274
H   -5.2364646275  -3.4137674179   1.2589464927
*