! 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
S   -1.7472542250  -1.8048050561   0.0182313293
S   -3.4650975136   2.1006735888   0.3000479888
O   -1.4662699223  -2.2236574896   1.3747724312
O   -2.4439784296  -2.7098690709  -0.8707495706
O   -0.9900243178   2.5513241371   1.5393814519
O   -1.0920728610  -0.5886623404  -2.5755972482
O   -0.1618291514   0.4698843217   1.5516947063
O    3.5091937328  -1.2480030883   1.6675774601
N   -0.2662611195  -1.4266507520  -0.6348872313
N    1.0600864590  -0.1493563681  -2.0621571809
N    3.1265853897   0.7496877620  -1.7260409449
N    2.2471634565  -0.7743932926  -0.1664535819
N    4.3543694491   0.1955717198   0.2032085946
C   -2.6510374840  -0.2865832202   0.0028912596
C   -2.2639248227   0.9104986458   0.5590031321
C   -3.9162690293  -0.2327252162  -0.6217992836
C   -4.4721746732   1.0070695848  -0.5207487647
C   -0.1661057319  -0.7242318009  -1.8070448724
C   -1.0252633592   1.2607055011   1.2671800696
C    2.1807654416  -0.0618393373  -1.2794047832
C    4.1984252125   0.8431607346  -0.9456371100
C    3.3520993503  -0.5977359117   0.5402359224
C    5.2929557819   1.7525586106  -1.3687195021
C    0.1733534634   3.0528401112   2.2080528482
C    2.4813261565  -2.1389119405   2.1086260734
H   -4.3951002442  -1.0600776566  -1.1206991508
H    0.5436403265  -1.4135799884  -0.0015176480
H   -5.4298085910   1.3242196667  -0.9047203107
H    5.1470942778   2.1106653089  -2.3836359260
H    5.3291375957   2.6142235345  -0.6995507472
H    6.2572011425   1.2515271802  -1.2963253298
H    0.0028425389   4.1165239045   2.3367665427
H    0.3011075347   2.5837454286   3.1822838943
H    1.0674866852   2.8987273783   1.6049222159
H    1.5584442887  -1.6015043981   2.3260879226
H    2.8554226985  -2.5850720869   3.0253999631
H    2.2937498158  -2.9259250462   1.3791826345
H    1.0918660307   0.3869204221  -2.9202257483
*