%chk=000002174.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000002174

0 1
 S   -2.258900      -1.309900       1.773600    
 O   -1.890400      -1.229100      -2.614600    
 O   -5.069400       1.688300     -0.5937000    
 O   -2.965600       2.206800      -1.301700    
 O    1.800700      -2.148500       1.131900    
 N   -1.994200     -0.1374000     -0.5248000    
 N   0.8791000      -1.349000     -0.8400000    
 N    4.277500      -2.253100     -8.6800002E-02
 C   -1.102700     -0.6198000      0.5341000    
 C   -3.562100     -6.2700003E-02   1.309000    
 C   -3.391300      9.1899998E-02 -0.2176000    
 C  -0.5220000      -1.602800     -0.4919000    
 C   -1.529100     -0.9888000      -1.484900    
 C   -4.939300     -0.6276000       1.661700    
 C   -3.297600       1.218000       2.112400    
 C   -3.749200       1.435500     -0.7683000    
 C    1.940800      -1.648800      1.6799999E-02
 C    3.299300      -1.271400     -0.5639000    
 C    3.673200      0.1467000     -0.1855000    
 C    3.298200       1.187400      -1.016500    
 C    4.380700      0.3688000      0.9824000    
 C    3.642300       2.493500     -0.6681000    
 C    4.724600       1.675000       1.330800    
 C    4.355400       2.737200      0.5056000    
 H  -0.4356000      0.1654000      0.9033000    
 H   -3.971400     -0.6607000     -0.7685000    
 H  -0.7082000      -2.666700     -0.3068000    
 H   -5.028700     -0.8264000       2.736200    
 H   -5.735400      7.6800004E-02   1.397700    
 H   -5.143700      -1.564700       1.130600    
 H   -3.301100       1.021600       3.191300    
 H   -2.334700       1.675400       1.858700    
 H   -4.073500       1.969400       1.928400    
 H    1.101600     -0.9342000      -1.741800    
 H    3.265700      -1.360300      -1.657200    
 H   -5.323900       2.567700     -0.9459000    
 H    5.182200      -2.069700     -0.5204000    
 H    4.004400      -3.184600     -0.3992000    
 H    2.742900       1.008300      -1.932400    
 H    4.666400     -0.4341000       1.654900    
 H    3.354500       3.320700      -1.310400    
 H    5.276100       1.865700       2.246900    
 H    4.622200       3.754300      0.7776000    


%chk=000002174-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000002174

0 1
S -2.365057 -1.493510 1.795839
O -1.506420 -0.760559 -2.591455
O -5.153317 1.833224 -0.609501
O -3.029280 2.747557 -0.345234
O 1.836886 -3.090752 0.152359
N -1.960943 0.049675 -0.344141
N 1.117243 -0.973785 -0.487715
N 4.442996 -2.329917 0.197232
C -1.126930 -0.500353 0.754193
C -3.730447 -0.167452 1.364356
C -3.385438 0.287951 -0.126986
C -0.285040 -1.278548 -0.330925
C -1.294323 -0.666245 -1.370802
C -5.107348 -0.850523 1.428810
C -3.614934 0.989398 2.380105
C -3.772946 1.750526 -0.366917
C 2.098898 -1.922791 -0.262571
C 3.557058 -1.495638 -0.614021
C 3.807701 0.004043 -0.410773
C 3.667296 0.911846 -1.491262
C 4.158971 0.501500 0.869214
C 3.856626 2.300228 -1.293195
C 4.348774 1.886016 1.067428
C 4.193669 2.790924 -0.011156
H -0.586734 0.233361 1.369629
H -3.971855 -0.328807 -0.833670
H -0.395547 -2.372558 -0.236290
H -5.335028 -1.173897 2.459717
H -5.891054 -0.139135 1.109798
H -5.149065 -1.735374 0.770302
H -3.734897 0.596214 3.402946
H -2.638258 1.499589 2.319466
H -4.408220 1.742412 2.207366
H 1.405929 -0.031943 -0.768111
H 3.635533 -1.697280 -1.714088
H -5.406852 2.783539 -0.764474
H 5.412396 -2.368916 -0.121082
H 4.028770 -3.237951 0.433494
H 3.428540 0.532853 -2.494169
H 4.298117 -0.220614 1.680812
H 3.749304 2.991909 -2.136129
H 4.621057 2.262791 2.060045
H 4.343970 3.865090 0.144554


