%chk=000066803.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000066803

0 1
 S    4.448300     -0.7928000      7.7399999E-02
 O    5.107100     -0.4746000      -1.384700    
 O    5.159200      2.4200000E-02   1.050100    
 O    4.374400      -2.237100      0.2347000    
 N   -1.152900       1.180000     -0.2674000    
 N   0.9232000       2.911100      0.6270000    
 N   -6.090700      -1.429400      0.2670000    
 C   0.1785000      0.7290000     -0.1802000    
 C    1.199900       1.575500      0.2583000    
 C    2.806500     -0.2069000     -2.2000000E-02
 C    2.511800       1.108200      0.3371000    
 C   0.4774000     -0.5876000     -0.5392000    
 C   -2.394400      0.5245000     -0.1326000    
 C    1.789300      -1.054800     -0.4601000    
 C   -3.506400      0.9851000     -0.8373000    
 C   -2.509900     -0.5846000      0.7052000    
 C   -4.849700     -0.7728000      0.1332000    
 C   -4.734200      0.3364000     -0.7045000    
 C   -3.737600      -1.233400      0.8381000    
 H    3.299500       1.778300      0.6730000    
 H   -1.236800       2.158700     -0.5257000    
 H  -0.2879000      -1.264700     -0.9091000    
 H    1.996900      -2.078900     -0.7575000    
 H   -3.428800       1.847800      -1.494100    
 H   -1.666900     -0.9515000       1.284100    
 H   -5.593300      0.7047000      -1.259400    
 H   -3.816200      -2.093800       1.497600    
 H  -2.7300000E-02   3.253800      0.6343000    
 H    1.671900       3.508200      0.9531000    
 H    5.149000      0.4794000      -1.630900    
 H   -6.897700      -1.095100     -0.2426000    
 H   -6.175300      -2.232800      0.8753000    


%chk=000066803-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000066803

0 1
S 4.541374 -0.640966 -0.064296
O 4.834985 -0.360220 -1.892880
O 5.474458 0.405395 0.750853
O 4.665582 -2.232561 0.213013
N -1.186266 1.267112 0.019363
N 0.832207 3.021589 0.629628
N -6.162114 -1.492801 0.010138
C 0.118014 0.750884 0.044567
C 1.178502 1.685056 0.338937
C 2.776834 -0.095877 -0.019311
C 2.518929 1.252853 0.287785
C 0.434860 -0.606395 -0.227216
C -2.409141 0.532317 -0.003445
C 1.772953 -1.044647 -0.270356
C -3.487259 0.992832 -0.803194
C -2.613518 -0.613440 0.810319
C -4.934325 -0.826060 0.006753
C -4.732116 0.335782 -0.792318
C -3.848669 -1.286022 0.808367
H 3.345413 1.931457 0.524741
H -1.246860 2.256234 -0.242245
H -0.369549 -1.308126 -0.461103
H 2.025480 -2.084330 -0.495777
H -3.348311 1.870235 -1.447149
H -1.811208 -0.966141 1.466393
H -5.549332 0.715168 -1.417554
H -3.980842 -2.169296 1.445059
H 0.021863 3.182875 1.231267
H 1.588510 3.698196 0.724142
H 5.770604 -0.662422 -2.084698
H -6.932474 -1.170063 -0.567198
H -6.301684 -2.324520 0.575616


