%chk=000038211.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000038211

0 1
 S  -7.5999998E-02  -1.332100       2.177000    
 O  -0.9350000     -0.4236000     -0.1966000    
 O    1.258500      -2.483400     -0.5192000    
 O   0.3726000       1.765100       1.411900    
 O   -1.946500      0.7457000       1.486400    
 N   -3.120200      0.3383000     -0.4795000    
 C   0.2252000     -0.5444000      0.5817000    
 C    2.425700     -0.4165000     -0.4018000    
 C    2.165900      0.8293000      0.1647000    
 C    1.293200      -1.317800     -0.1719000    
 C   0.8465000      0.8248000      0.8022000    
 C    3.609900     -0.6807000      -1.061900    
 C    3.079400       1.863100      9.4499998E-02
 C   -2.002500      0.2600000      0.3579000    
 C   -4.344700       1.020600     -7.2700001E-02
 C   -3.131300     -0.2562000      -1.808500    
 C    4.545300      0.3543000      -1.143900    
 C    4.282600       1.614000     -0.5713000    
 C  -0.6030000      -2.957800       1.584000    
 C   -4.319200       2.484600     -0.4609000    
 C   -3.626500      -1.687200      -1.772200    
 H    3.815800      -1.649500      -1.502400    
 H    2.880800       2.833200      0.5354000    
 H   -5.210400      0.5139000     -0.5122000    
 H   -4.438300      0.9457000       1.016500    
 H   -3.762200      0.3492000      -2.468800    
 H   -2.121300     -0.2345000      -2.231400    
 H    5.489600      0.1868000      -1.655500    
 H    5.027700       2.401500     -0.6486000    
 H   -3.467400       2.999100     -3.5999999E-03
 H   -4.237000       2.606600      -1.545700    
 H   -5.235900       2.982700     -0.1307000    
 H   -2.991000      -2.310100      -1.134400    
 H   -4.647300      -1.745200      -1.380900    
 H   -3.623500      -2.116800      -2.778600    
 H   -1.228200      -2.892100      0.6905000    
 H   -1.200000      -3.429200       2.370600    
 H   0.2574000      -3.606000       1.403800    


%chk=000038211-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000038211

0 1
S 0.402590 -1.047978 2.216504
O -1.124962 -0.467712 -0.169674
O 0.934481 -2.420476 -0.841787
O 0.229287 2.122241 0.557636
O -2.377067 0.356800 1.688486
N -3.269632 0.286713 -0.483273
C 0.174796 -0.380583 0.410330
C 2.450927 -0.511612 -0.445219
C 2.247061 0.831923 -0.026000
C 1.170635 -1.279563 -0.368497
C 0.823889 1.035799 0.368314
C 3.709125 -0.943858 -0.906315
C 3.296230 1.771865 -0.054039
C -2.288246 0.120686 0.463037
C -4.589670 0.781296 -0.019977
C -3.077991 0.017361 -1.929565
C 4.766352 -0.003964 -0.931237
C 4.563709 1.338412 -0.507542
C -0.556618 -2.656142 2.031688
C -4.707319 2.317277 -0.106411
C -3.276615 -1.467329 -2.299315
H 3.852542 -1.977058 -1.237139
H 3.123666 2.803572 0.267894
H -5.367656 0.292898 -0.636424
H -4.726051 0.455573 1.025020
H -3.803864 0.650172 -2.473627
H -2.066994 0.342993 -2.224187
H 5.756816 -0.309746 -1.285538
H 5.401409 2.043334 -0.539098
H -3.953597 2.793785 0.543018
H -4.554768 2.676553 -1.140612
H -5.710215 2.643430 0.225166
H -2.511684 -2.088839 -1.804201
H -4.277576 -1.826036 -1.997210
H -3.178670 -1.603524 -3.392230
H -1.631415 -2.429926 1.995714
H -0.317018 -3.249649 2.928183
H -0.227190 -3.183289 1.122026


