! 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   -1.3063464347   1.8633164612  -1.2834778070
O   -3.9117870985  -1.1044293303  -1.2898579305
O   -1.0880430062   3.1497755565  -0.6598021880
O   -1.5340173282   1.7946093957  -2.7075222445
O   -0.6600482545  -1.0194825594  -1.6127577053
O    3.5926762421   2.8768996336   0.8409965576
O    5.6825223212  -1.2656176652   0.8270042772
N   -2.5768389122   1.0838233364  -0.5966427930
N    0.0403243333   1.0006470945  -0.8399265822
N    1.3915849189  -0.8765603353  -0.6776832888
N    2.4722190608   1.0264981972   0.1022030540
N    3.5291948292  -1.0826119982   0.0776834223
C   -3.2728755033  -3.1214884912  -0.2746724941
C   -2.9412615325  -3.8074749098  -1.5839701271
C   -4.2926687417  -3.9615051606  -1.0111569269
C   -3.4144943099  -1.6555988184  -0.3144570978
C   -2.9197299447  -0.8541794809   0.8343799254
C   -2.5048566672   0.4824843370   0.6709184733
C   -2.8766343217  -1.4113651030   2.1128370519
C   -2.0271504412   1.1984259939   1.7623313168
C   -2.4162030951  -0.6906969736   3.1997792003
C   -1.9763580541   0.6111757571   3.0153898099
C    0.1948908670  -0.3376804649  -1.0875611912
C    2.5101351971  -0.2725757724  -0.1405975781
C    3.5763276366   1.5779977616   0.5964232034
C    4.6198995249  -0.5193312877   0.5797243001
C    4.7140316355   0.8382998453   0.8628518537
C    2.4255513733   3.6471144485   0.5605471496
C    5.6326127253  -2.6630329235   0.5504096023
H   -2.8281448559  -3.5589407956   0.6067533101
H   -2.8154724435  -3.1734606729  -2.4514184190
H   -2.2492783214  -4.6359158613  -1.5189441830
H   -4.5588801696  -4.9012158258  -0.5469093905
H   -5.1136890937  -3.4358234679  -1.4808864630
H   -3.2259187813  -2.4220722962   2.2719262056
H   -1.7164571288   2.2270522614   1.6459973708
H   -3.1129512998   0.5329469285  -1.2700778978
H   -2.4019980081  -1.1424324883   4.1816636911
H   -1.6072097410   1.1855092395   3.8540365741
H    1.4824006731  -1.8683450916  -0.8543640872
H    5.6128654888   1.2841931896   1.2624133204
H    1.5766236191   3.3244466782   1.1637437070
H    2.1665320551   3.6151287564  -0.4979641536
H    2.6765005318   4.6692495066   0.8289420649
H    6.6110726899  -3.0492888426   0.8217289031
H    5.4508775304  -2.8594186144  -0.5055209627
H    4.8724062829  -3.1649957073   1.1479551871
H    0.8320541202   1.4952944218  -0.4011596858
*