! 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   2.2496193657   1.0364370331  -2.5086681817
Cl  -4.8812999238  -2.9569944880   1.1132418451
Cl   3.6576152045  -3.5956851638  -0.1785345606
S   -1.5606951486   3.0216273407   0.0253986815
N    1.9999491252   1.9204018843   1.3524100837
N   -0.0173447409   0.9970446429  -0.6060178566
N    2.5091204283   0.9259609204   2.0847969544
N    4.0663028085   1.7676437057   0.7063095517
C    0.6169892250   2.3026867920   1.4385092421
C   -2.5913421307   2.1096062694  -1.1638025824
C   -0.1986096061   1.9363076086   0.2143510764
C   -3.1560270542   0.8434073293  -0.5963570647
C   -4.1138146602   0.8892740242   0.4135863643
C   -2.7430453430  -0.3973958520  -1.0687825730
C    0.8917988434  -0.0374468482  -0.4464014278
C   -4.6497661080  -0.2725860824   0.9438384763
C   -3.2674707303  -1.5716566530  -0.5479400290
C    2.9367833314   2.4056806135   0.5332221598
C    1.9709779507  -0.1812305735  -1.3173065418
C    0.6776973525  -1.0404431559   0.4975481015
C   -4.2170612946  -1.4972678434   0.4567184974
C    2.8330831154  -1.2611752166  -1.2361980770
C    1.5172217276  -2.1355610503   0.5852306046
C    2.5937707954  -2.2340832025  -0.2806806914
C    3.7419610441   0.8687375131   1.6580595501
H    0.5563468252   3.3799836426   1.6037186343
H    0.1830580294   1.8281412523   2.3181908074
H   -2.0124782354   1.9296487068  -2.0675221202
H   -3.3841096148   2.8159443577  -1.4153135792
H   -4.4523103324   1.8448072669   0.7953589893
H   -2.0037413405  -0.4552042852  -1.8555615656
H   -5.3965080314  -0.2219694976   1.7243645841
H   -2.9353950163  -2.5291307731  -0.9251921899
H    2.7581269120   3.2256656697  -0.1441774112
H   -0.1679311915  -0.9599575790   1.1679567545
H    3.6724148062  -1.3404759493  -1.9130343234
H    1.3320223234  -2.8988801712   1.3280844805
H    4.4451816752   0.1559816841   2.0584362579
*