! 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 4
end
%cpcm
    smd    true
    smdsolvent "WATER"
end
*xyz 0 1
Cl  -5.1600889006  -0.2747898686   0.9695478036
S   -2.0714037593  -1.5966227077  -0.2575280037
O   -1.7890946336  -1.8094624411  -1.6624954336
O   -3.0046254728  -2.4553893809   0.4301649144
O   -1.2778799757  -1.0694218066   2.5383949135
O    3.0589541242  -1.5381197013  -1.9685712781
O    5.3673138654   0.0390878798   1.7346475495
N   -1.8244963945   1.1233063180  -0.2983790379
N   -0.5692847091   1.0886224383  -0.7201347288
N   -3.7725213323   1.9045188471   0.4328904144
N   -0.5769386785  -1.6572781122   0.4575267539
N    0.9307188644  -0.9567206126   2.0795927474
N    1.9867406248  -1.2947852317   0.0355755571
N    3.1443743342  -0.4622388808   1.9150667981
C   -2.5995411589   0.0331261443   0.0009397694
C    0.0045336698   2.2467381955  -0.8986004773
C    1.4192218383   2.2223971473  -1.3811559996
C   -2.5675897852   2.2348080701  -0.0182998344
C    1.5086581615   2.1050942533  -2.9037673616
C   -0.6723121389   3.4767977256  -0.6748201218
C   -1.9579237457   3.4799063532  -0.2318826678
C   -3.7883872176   0.5752312856   0.4501931388
C    2.9472593555   1.9811598059  -3.3765420434
C   -0.3743043348  -1.2211802746   1.7444777085
C    2.0663824203  -0.9064524039   1.2965153226
C    3.0969362210  -1.2024652785  -0.6908339663
C    4.2485934541  -0.3970286762   1.1838399211
C    4.2935140145  -0.7582461927  -0.1581566241
C    1.8058697040  -1.8846503463  -2.5546696117
C    5.3533877220   0.4598773031   3.0974601659
H    1.9282124847   3.1295833051  -1.0510734498
H    1.9378634896   1.3821538984  -0.9163297213
H    1.0376047000   2.9774593008  -3.3631900148
H    0.9350371374   1.2357941883  -3.2349597617
H   -0.1465600404   4.4042907998  -0.8503276327
H   -2.5052343660   4.3900433751  -0.0346312182
H    3.4210243776   1.0850820068  -2.9716562623
H    2.9988538640   1.9165458489  -4.4633922711
H    3.5453115197   2.8397498681  -3.0673507465
H    1.0583657052  -0.6554358730   3.0367926482
H    5.1956395355  -0.6840905933  -0.7470657657
H    1.0838642594  -1.0717423795  -2.4714246945
H    1.3920893766  -2.7918509736  -2.1153899567
H    2.0124246710  -2.0647714297  -3.6052414829
H    4.6727796270   1.2961773315   3.2522676880
H    6.3683165872   0.7808527750   3.3137454502
H    5.0845783600  -0.3545969639   3.7688310974
H    0.2440707741  -1.6266431444  -0.1671908046
*