%chk=000051908.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000051908

0 1
 S   -5.622500       1.115400      0.9716000    
 O   -2.976900      7.6399997E-02 -0.2522000    
 O    4.747300      0.1903000      0.1071000    
 O   -1.509100      -1.653500      3.6600001E-02
 N  -0.7771000      0.5613000     -0.2071000    
 C   0.6126000      0.4682000     -0.1281000    
 C    1.396200       1.617300     -0.2355000    
 C    1.218700     -0.7743000      5.7900000E-02
 C    3.391700      0.2813000      2.9200001E-02
 C    2.785700       1.523800     -0.1568000    
 C    2.608300     -0.8677000      0.1366000    
 C   -4.065500     -0.8522000     -0.1883000    
 C   -1.722500     -0.4580000     -0.1240000    
 C   -5.387700     -0.1176000     -0.3449000    
 C    5.301000      -1.110800      0.2979000    
 H   0.9372000       2.592000     -0.3806000    
 H   0.6771000      -1.705600      0.1495000    
 H    3.390900       2.422400     -0.2409000    
 H    3.014400      -1.863000      0.2820000    
 H   -1.151800       1.497200     -0.3432000    
 H   -3.961300      -1.578400      -1.003000    
 H   -4.035200      -1.390100      0.7673000    
 H   -6.222600     -0.8240000     -0.3211000    
 H   -5.410700      0.4174000      -1.299500    
 H    5.078700      -1.770700     -0.5475000    
 H    4.991200      -1.543500       1.255200    
 H    6.389300     -0.9964000      0.3363000    
 H   -4.539000       1.852900      0.6864000    


%chk=000051908-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000051908

0 1
S -5.785158 1.191271 1.028605
O -3.048299 0.101878 -0.292082
O 4.825911 0.261336 0.093028
O -1.605004 -1.731432 0.052713
N -0.822067 0.492645 -0.219872
C 0.593998 0.350072 -0.126140
C 1.382183 1.526549 -0.255199
C 1.234489 -0.894767 0.085270
C 3.422917 0.214567 0.032676
C 2.782106 1.461435 -0.176685
C 2.643554 -0.959909 0.163896
C -4.195689 -0.838181 -0.217364
C -1.776025 -0.500586 -0.130891
C -5.456250 -0.005225 -0.402733
C 5.530686 -1.004590 0.304281
H 0.897505 2.497495 -0.418049
H 0.633027 -1.800424 0.186896
H 3.397447 2.360465 -0.274799
H 3.113959 -1.933922 0.327914
H -1.187462 1.434097 -0.376895
H -4.090044 -1.590077 -1.022637
H -4.179846 -1.356360 0.757431
H -6.339331 -0.665058 -0.420915
H -5.417464 0.566030 -1.344064
H 5.330665 -1.719225 -0.517963
H 5.251243 -1.465210 1.271994
H 6.598498 -0.741034 0.314466
H -4.577150 1.858260 0.918017


