! 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   -1.7430020616  -1.7992946712   0.0184284981
S   -3.4709356460   2.1016278833   0.3141445973
O   -1.4609418690  -2.2075103844   1.3780346462
O   -2.4451161214  -2.7088767861  -0.8613222436
O   -1.0081347766   2.5522932146   1.5740249983
O   -1.0860223165  -0.5955096532  -2.5805980270
O   -0.1356570923   0.4911573406   1.5076331229
O    3.5022252817  -1.2477461126   1.6754467237
N   -0.2608096809  -1.4340094170  -0.6394648111
N    1.0666962958  -0.1570153047  -2.0651964671
N    3.1246095852   0.7557556187  -1.7141398890
N    2.2501433418  -0.7817617476  -0.1668459073
N    4.3478466385   0.2035112546   0.2186412668
C   -2.6438864228  -0.2787064499  -0.0041113691
C   -2.2613911698   0.9165891833   0.5590498215
C   -3.9099027160  -0.2266355003  -0.6276420581
C   -4.4700929009   1.0104515087  -0.5199714356
C   -0.1603155374  -0.7305831003  -1.8107906378
C   -1.0201725890   1.2703331810   1.2608153869
C    2.1840273139  -0.0636617210  -1.2776211784
C    4.1944162191   0.8516724470  -0.9279110330
C    3.3472526682  -0.5986186082   0.5475187852
C    5.2993386620   1.7325833603  -1.3820185782
C    0.1588221979   3.0593644190   2.2301631761
C    2.4748754250  -2.1399929280   2.1136101887
H   -4.3850936412  -1.0535917054  -1.1307681596
H    0.5489298159  -1.4180259977  -0.0056327588
H   -5.4290825989   1.3259547846  -0.9014358154
H    4.9183260516   2.5944377697  -1.9249538927
H    5.9107286549   2.0650069026  -0.5473336605
H    5.9424931376   1.1741084680  -2.0659934377
H   -0.0297864940   4.1152516239   2.3929690935
H    0.3187440613   2.5666097049   3.1876849149
H    1.0414769366   2.9408515418   1.6031365085
H    1.5480186582  -1.6058737861   2.3200702710
H    2.8436145803  -2.5785375774   3.0358117178
H    2.2965264896  -2.9321261600   1.3875602884
H    1.0997035376   0.3807441001  -2.9222479737
*