%chk=000048566.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000048566

0 1
 S   -1.997300     -0.5597000      0.2337000    
 O   7.5300001E-02  -1.406000      -2.121500    
 O   0.4564000       1.085100       1.840900    
 O    3.405900      -2.303200      0.9050000    
 N    1.797900      -1.787000     -0.6550000    
 N    1.987800     -0.5431000       1.324600    
 C   0.5170000      0.2956000     -0.4511000    
 C  -0.9626000      0.6923000     -0.5583000    
 C    1.377500       1.337200      -1.188500    
 C   0.7381000      -1.042100      -1.150300    
 C   0.9459000      0.3175000       1.012600    
 C    1.280000       2.670200     -0.5242000    
 C   -3.613300      0.1953000     -6.5700002E-02
 C    2.473700      -1.583700      0.5422000    
 C   -4.721400     -0.6541000      0.5466000    
 C   -6.087600     -2.8600000E-02  0.3058000    
 C    2.327000       3.314500      3.1000001E-03
 H   -1.268500      0.7840000      -1.606900    
 H   -1.178400       1.642800     -6.1799999E-02
 H    1.050700       1.436000      -2.231900    
 H    2.424700       1.008600      -1.232900    
 H    2.056800      -2.615500      -1.183500    
 H    2.386800     -0.4544000       2.255000    
 H   0.3219000       3.182100     -0.5214000    
 H   -3.766900      0.2907000      -1.145800    
 H   -3.625700       1.197800      0.3748000    
 H   -4.714500      -1.661700      0.1132000    
 H   -4.569100     -0.7601000       1.627700    
 H   -6.872000     -0.6491000      0.7503000    
 H   -6.147600      0.9680000      0.7548000    
 H   -6.293700      6.3500002E-02 -0.7654000    
 H    2.201400       4.296900      0.4453000    
 H    3.319600       2.878100      7.1999999E-03


%chk=000048566-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000048566

0 1
S -2.135208 -0.731137 -1.299877
O 1.134936 -1.286928 -2.552294
O -0.580471 1.134387 1.259635
O 2.222129 -2.527504 1.795914
N 1.691971 -1.847547 -0.377305
N 0.913669 -0.614726 1.484589
C 0.477800 0.306958 -0.801452
C -0.822326 0.611964 -1.578734
C 1.590421 1.411532 -1.105400
C 1.088297 -1.006311 -1.328242
C 0.190809 0.308752 0.706935
C 1.259769 2.803703 -0.617602
C -3.377317 0.222309 -0.212466
C 1.654261 -1.717772 1.022932
C -4.417609 -0.761753 0.348426
C -5.479866 -0.032961 1.203730
C 2.090313 3.554327 0.147238
H -0.611401 0.640259 -2.658678
H -1.251880 1.568309 -1.245831
H 1.707153 1.406395 -2.208127
H 2.556148 1.085371 -0.673909
H 2.172403 -2.681290 -0.731543
H 0.809014 -0.548450 2.502461
H 0.299148 3.228468 -0.939221
H -3.857392 0.988579 -0.846737
H -2.804383 0.713327 0.591881
H -4.913985 -1.297376 -0.484354
H -3.904470 -1.527346 0.961612
H -6.215138 -0.750450 1.610790
H -5.012264 0.494206 2.055987
H -6.032361 0.714518 0.604294
H 1.824426 4.572833 0.449533
H 3.059207 3.173254 0.494415


