! 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 "WATER"
end
*xyz 0 1
Cl  -3.3713918525   0.8929895153   2.0091018995
S    1.2645058780  -2.0405997642   0.7235103328
O    1.3043811215   1.0522718503   1.2575164397
O    1.2789657632  -3.4391422623   0.3490156105
O    1.0252106213  -1.6810465915   2.1087663639
O    3.0018267616   1.1465204617   2.7160701329
O    0.8138585489  -1.8553142228  -2.1779557062
O   -4.8012491596   1.9094831343  -2.6657213956
N    0.0560201805  -1.2691143610  -0.1223072494
N   -1.0307184932  -0.5678103719  -2.0569223137
N   -2.9076657541   0.6729552545  -2.3617021608
N   -2.1766118441   0.1720107569  -0.1726444668
C    2.7902466301  -1.3102375883   0.1855633717
C    3.2571831140  -0.1079814936   0.7241273610
C    3.5702830265  -2.0484613354  -0.6918610470
C    4.5222853951   0.3337733762   0.3610099873
C    4.8195858082  -1.5764155656  -1.0634319682
C    5.2940469027  -0.3868935854  -0.5382818985
C    2.5082685171   0.7489139778   1.6905130036
C    0.0010605127  -1.2770919252  -1.4876811469
C    0.4444831690   1.8362386549   2.1080059132
C   -2.0769571686   0.1192730454  -1.4901948498
C    0.6622254415   3.3157925886   1.9073540143
C   -3.9355682400   1.3299092296  -1.8645803875
C   -4.1623164154   1.4452141310  -0.4842449973
C   -3.2246779733   0.8331354220   0.2981275458
C   -4.6055404698   1.8263606569  -4.0789122526
H    3.2221026070  -2.9922798925  -1.0834276837
H    4.9044121340   1.2578229887   0.7731456921
H   -0.6474649245  -0.7328235865   0.3969375269
H    5.4212161289  -2.1503966774  -1.7539079970
H    6.2712008975  -0.0188001527  -0.8182224514
H   -1.0257888739  -0.5802951522  -3.0686482332
H    0.5789981557   1.5455433440   3.1497360205
H   -0.5627167299   1.5518384767   1.8112888335
H   -0.0647113780   3.8630255720   2.5078380473
H    1.6565704227   3.6314491552   2.2208586909
H    0.5159187001   3.6015737564   0.8659301961
H   -5.0104656402   1.9790915596  -0.0843985525
H   -4.6173462163   0.7933421232  -4.4232234990
H   -3.6723824430   2.3006529150  -4.3795934198
H   -5.4404525899   2.3627645840  -4.5194265762
*