! 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  -5.9174139192  -0.7413161589   1.2024141851
S    1.8377424083  -0.6943893150  -1.6654360481
O    2.3146982427   2.2070747493   1.1806837278
O    1.9103980343   0.7277460681  -1.9492278940
O    2.3205870148  -1.6457458812  -2.6436778019
O    0.4914948458   0.9681299341   0.7967177819
O    0.4532828069  -3.1208032866  -0.7181297875
O   -2.7765808800   2.2336583175  -1.2976968095
N    0.2195722156  -0.9684738349  -1.3984920090
N   -1.5387327086  -2.1118494799  -0.3953475084
N   -2.1492061065   0.0778373347  -0.8861630458
N   -3.5740307881  -1.3755303342   0.3064910309
C    2.6653536261  -1.0110686576  -0.1278846990
C    2.6158960447  -0.0869456954   0.9188258195
C    3.4686898777  -2.1372786858  -0.0496697172
C    3.3939197396  -0.3160832236   2.0448429393
C    4.2225004516  -2.3616463916   1.0929653262
C    4.1866670655  -1.4520800228   2.1353233661
C    1.6849321404   1.0801246545   0.9334781187
C   -0.2352526237  -2.1285033851  -0.8338582240
C    1.5189838853   3.4050257100   1.3143375594
C   -2.4508843108  -1.0837433271  -0.3266328002
C    2.4525770332   4.5437967922   1.6272371187
C   -3.0346156619   1.0530629167  -0.7793987839
C   -4.2579431753   0.8696201021  -0.1304679210
C   -4.4469322221  -0.3887028758   0.3846549723
C   -1.5189755572   2.4484843145  -1.9410637395
H    3.5233787107  -2.8369400660  -0.8703030678
H    3.3693425182   0.3837609001   2.8689996933
H   -0.3991185211  -0.1488050894  -1.3540635740
H    4.8428899640  -3.2443240609   1.1567774031
H    4.7777367704  -1.6199976139   3.0248355738
H   -1.8416062526  -2.9828062387   0.0216276449
H    0.7861086192   3.2648026886   2.1103276375
H    0.9820604657   3.5832339558   0.3809116098
H    3.1810413959   4.7007247423   0.8316901718
H    1.8684703005   5.4580302361   1.7288407779
H    2.9842231731   4.3831026664   2.5649380587
H   -4.9870983035   1.6604885419  -0.0452940477
H   -1.5391374926   3.4769043731  -2.2901983969
H   -1.3868266645   1.7844954183  -2.7954552408
H   -0.6923711363   2.3267151092  -1.2402042111
*