%chk=000030346.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000030346

0 1
 S   -4.636000     -6.8599999E-02  0.1471000    
 O    2.830100       2.948600     -0.7750000    
 O    4.833400       2.406400      0.4482000    
 O   -5.415700     -0.6465000     -0.9382000    
 O   -5.024100     -0.3193000       1.528600    
 N    1.366600      -3.008600      0.1194000    
 C    1.132100      -1.740800     -0.6066000    
 C    2.144400     -0.6403000     -0.2814000    
 C    3.349500     -0.9600000      0.4003000    
 C    3.616800      -2.374300      0.8494000    
 C    2.777600      -3.387000      7.5099997E-02
 C  -0.3215000      -1.319600     -0.4166000    
 C    1.934000      0.6789000     -0.7259000    
 C    4.291000      4.0199999E-02  0.6928000    
 C    2.887000       1.632700     -0.4314000    
 C    4.030200       1.323500      0.2633000    
 C   -2.972200     -0.5507000     -6.9600001E-02
 C   -1.175200      -1.274500      -1.513500    
 C  -0.7814000     -0.9836000      0.8523000    
 C   -4.616900       1.696200     -7.3299997E-02
 C   -2.504400     -0.8889000      -1.339600    
 C   -2.110600     -0.5981000       1.026400    
 C   -3.673400       2.342500      0.9302000    
 C   -6.026000       2.257700      4.7200002E-02
 C    4.064600       3.434100     -0.2094000    
 H    1.286300      -1.960700      -1.673400    
 H    4.677300      -2.616500      0.7109000    
 H    3.393700      -2.444300       1.921400    
 H    3.120000      -3.469700     -0.9643000    
 H    2.899900      -4.375500      0.5314000    
 H   0.8065000      -3.745900     -0.3088000    
 H    1.047900      0.9539000      -1.288400    
 H    5.203900     -0.1902000       1.232400    
 H  -0.8246000      -1.533200      -2.508600    
 H  -0.1224000      -1.014300       1.715800    
 H   -4.252600       1.883100      -1.090100    
 H   -3.155500     -0.8519000      -2.208400    
 H   -2.451900     -0.3378000       2.024300    
 H   -3.739600       3.434500      0.8652000    
 H   -3.908300       2.059600       1.961500    
 H   -2.629200       2.085500      0.7331000    
 H   -6.030200       3.338600     -0.1280000    
 H   -6.447200       2.074900       1.041700    
 H   -6.698000       1.798900     -0.6856000    
 H    3.832400       4.219400      0.5192000    
 H    4.672100       3.867300      -1.012300    


%chk=000030346-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000030346

0 1
S -4.671479 -0.024523 0.147044
O 2.928625 2.915627 -1.045315
O 4.917052 2.456278 0.219565
O -5.519887 -0.553685 -1.155082
O -5.086507 -0.442165 1.679297
N 1.465487 -3.032566 0.165921
C 1.216242 -1.844666 -0.678091
C 2.239002 -0.734538 -0.354296
C 3.420001 -1.011608 0.388940
C 3.695854 -2.406739 0.938580
C 2.874772 -3.471349 0.190330
C -0.232223 -1.387268 -0.481649
C 1.996379 0.572776 -0.873394
C 4.372530 0.023403 0.635685
C 2.939210 1.562358 -0.611848
C 4.106642 1.294067 0.132472
C -2.867024 -0.545873 -0.107882
C -1.077455 -1.171322 -1.597052
C -0.740337 -1.196601 0.829493
C -4.674813 1.973937 0.054890
C -2.415840 -0.748562 -1.420800
C -2.071393 -0.774894 1.028924
C -3.985585 2.485276 1.315830
C -6.140641 2.367739 -0.119322
C 4.086361 3.546801 -0.358479
H 1.342676 -2.078697 -1.768433
H 4.776283 -2.636111 0.865306
H 3.423352 -2.443916 2.011574
H 3.297762 -3.615011 -0.834561
H 2.933204 -4.440704 0.716187
H 0.797084 -3.786809 -0.030045
H 1.092500 0.793249 -1.447752
H 5.287394 -0.181114 1.199710
H -0.695032 -1.349121 -2.609634
H -0.084949 -1.402875 1.681288
H -4.084534 2.133703 -0.864960
H -3.099006 -0.617976 -2.266760
H -2.500011 -0.653687 2.029669
H -4.043750 3.589887 1.338383
H -4.493040 2.093900 2.215736
H -2.919862 2.200119 1.356490
H -6.203521 3.453559 -0.321679
H -6.720112 2.151957 0.795598
H -6.599612 1.826605 -0.964771
H 3.713330 4.187912 0.462691
H 4.685271 4.098928 -1.099002


