! 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  -0.3399706040  -0.9270248894   2.2607632807
Cl   0.2977114290  -5.2013590091  -0.8516481262
O   -0.6478919199   1.3255908051   0.3343282584
O    0.6105521964   1.4061685909  -1.4930802114
N    1.8548892379   2.6699107551   0.6431326888
N    2.6549818743   3.3289221486  -0.1974493962
N    1.5293445929   4.7642368517   1.1002914927
C    0.5139056242   0.8130313373  -0.2375448215
C   -1.5829997522   1.5968245913  -0.7068980909
C   -0.7046552545   1.6314574145  -1.9680254370
C   -2.6911870264   0.5627934656  -0.7873613659
C    1.7293102035   1.2385827839   0.5875658924
C    0.4642964118  -0.7118397246  -0.3486942879
C   -3.5606787755   0.4747423619   0.4586063713
C    0.0784022998  -1.5469727856   0.6987495760
C    0.8296463134  -1.3212340762  -1.5451135109
C   -4.6477181375  -0.5800386356   0.3231544201
C    0.0240402489  -2.9251087459   0.5527431659
C    0.7852078942  -2.6937308130  -1.7194438005
C    1.1840588977   3.5373086568   1.4052723611
C    0.3728349183  -3.4860111045  -0.6631361280
C    2.4299208317   4.5779754984   0.1144254453
H   -2.0134120185   2.5797971091  -0.4964203244
H   -1.0015425188   0.8597619130  -2.6865591576
H   -0.7285251147   2.5962170851  -2.4749904445
H   -2.2635673003  -0.4193780918  -1.0160834140
H   -3.3149954672   0.8263880834  -1.6487373618
H    2.6382031862   0.8384710569   0.1412689888
H    1.6603105811   0.8431661592   1.5994606762
H   -4.0161849250   1.4501280203   0.6565117138
H   -2.9388618383   0.2438928906   1.3260918023
H    1.1574219125  -0.7095839408  -2.3740983918
H   -5.3120581699  -0.3663715588  -0.5168408598
H   -4.2191493779  -1.5710242540   0.1579724370
H   -5.2638492558  -0.6372109905   1.2217084728
H   -0.2855920291  -3.5487187891   1.3799061618
H    1.0683938209  -3.1311398456  -2.6666150317
H    0.4781173399   3.2357057530   2.1628614688
H    2.9382081695   5.3894338696  -0.3835282224
*