%chk=000038122.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000038122

0 1
 S    2.761600     -0.5107000      1.2200000E-02
 O   -1.302300      -5.388600       1.198400    
 O    6.091300       1.604500      0.3828000    
 O    5.395300     -0.3456000       1.393600    
 N   0.3375000     -0.6859000      -1.241300    
 N   -4.043100      0.9991000     -0.6179000    
 N   -2.346200       2.421600     -0.8114000    
 N   0.3281000       1.089200      -2.520400    
 N    1.519300       1.061300      -1.822900    
 C   -1.736800     -0.3567000      -2.658300    
 C   -2.717600      0.8414000      -2.705200    
 C  -0.3662000      3.4100000E-02  -2.158400    
 C   -3.004700       1.442000      -1.389200    
 C   -4.055700       1.742600      0.5341000    
 C  -7.5599998E-02  -1.868600     -0.6276000    
 C   -2.987200       2.623300      0.3894000    
 C    1.505900     -9.7000003E-03  -1.061800    
 C   -4.884800       1.721400       1.656200    
 C  -0.2020000      -1.926900      0.7603000    
 C  -0.3613000      -2.993100      -1.401800    
 C   -2.714900       3.544100       1.415200    
 C   -4.599300       2.644800       2.667400    
 C   -3.534200       3.540700       2.551000    
 C  -0.6143000      -3.109700       1.373900    
 C  -0.7736000      -4.175900     -0.7883000    
 C  -0.9001000      -4.234200      0.5996000    
 C    3.988800      0.8054000     -0.2346000    
 C    5.211300      0.5837000      0.6200000    
 C   -1.410600      -5.378400       2.621000    
 C    7.317700       1.546800       1.118800    
 C    8.173700       2.738100      0.7450000    
 H   -1.628000     -0.7669000      -3.669200    
 H   -2.193700      -1.133200      -2.037300    
 H   -2.311100       1.616900      -3.367100    
 H   -3.652200      0.5048000      -3.171800    
 H   -4.687200      0.2550000     -0.8516000    
 H   -5.710800       1.024900       1.744300    
 H  -5.1000002E-03  -1.056400       1.381400    
 H  -0.2575000      -2.972200      -2.484000    
 H   -1.889500       4.244100       1.334400    
 H   -5.218900       2.664600       3.560600    
 H   -3.337000       4.246600       3.353800    
 H  -0.6961000      -3.084200       2.455200    
 H  -0.9923000      -5.049400      -1.396400    
 H    4.295900      0.8162000      -1.285000    
 H    3.542900       1.766700      3.9000001E-02
 H   -1.740600      -6.376500       2.927200    
 H   -2.174300      -4.670900       2.961300    
 H  -0.4400000      -5.202700       3.097300    
 H    7.847000      0.6192000      0.8738000    
 H    7.100500       1.569300       2.192500    
 H    9.121300       2.725400       1.290700    
 H    7.650100       3.673700      0.9673000    
 H    8.384300       2.739300     -0.3295000    


%chk=000038122-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000038122

0 1
S 2.946838 -0.238974 -0.031598
O -2.172521 -3.796269 1.928900
O 6.639058 1.392571 -0.020592
O 5.550307 -0.104020 1.401880
N 0.534220 -0.186374 -1.482932
N -3.737506 0.163268 -0.904179
N -2.559834 1.985579 -0.201031
N 0.981564 1.204906 -3.202122
N 2.152828 1.109967 -2.388099
C -1.366074 0.290568 -3.177539
C -2.355783 1.388871 -2.658323
C 0.028684 0.428778 -2.643994
C -2.851683 1.200186 -1.253516
C -4.032805 0.289457 0.459869
C -0.143086 -1.093603 -0.589474
C -3.283629 1.440269 0.886314
C 1.849874 0.274680 -1.371572
C -4.849539 -0.450834 1.338027
C -0.517300 -0.658623 0.699364
C -0.431368 -2.417016 -1.007005
C -3.345082 1.860515 2.234161
C -4.897942 -0.013497 2.680637
C -4.156364 1.122440 3.122354
C -1.187888 -1.533747 1.577441
C -1.109462 -3.292576 -0.141345
C -1.492207 -2.851938 1.153030
C 4.418120 0.800262 -0.607820
C 5.554637 0.618510 0.380257
C -2.556378 -3.404120 3.291325
C 7.855024 1.327309 0.854929
C 8.894170 2.250274 0.228929
H -1.294667 0.397977 -4.274045
H -1.763562 -0.719136 -2.966462
H -1.858139 2.370559 -2.710326
H -3.222004 1.418791 -3.349208
H -4.090142 -0.556295 -1.532891
H -5.422528 -1.323727 1.007425
H -0.302955 0.369517 1.005664
H -0.108856 -2.757791 -1.996795
H -2.781079 2.738276 2.564399
H -5.531260 -0.549839 3.396612
H -4.228873 1.431629 4.170860
H -1.489454 -1.168724 2.562707
H -1.340724 -4.320214 -0.436643
H 4.711870 0.481591 -1.620303
H 4.108829 1.855145 -0.674841
H -3.062962 -4.286265 3.709116
H -3.247863 -2.540239 3.277482
H -1.665039 -3.160624 3.900702
H 8.189454 0.275195 0.900287
H 7.562022 1.641536 1.872867
H 9.815802 2.241873 0.838990
H 8.520772 3.287079 0.177312
H 9.150186 1.921267 -0.792483


