%chk=000022763.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000022763

0 1
 S   0.2250000      -2.342600      0.1782000    
 O   0.8209000      -3.129500       1.241700    
 O  -7.2200000E-02  -2.964200      -1.098100    
 O  -0.6185000       2.425700       1.797600    
 O   -1.071900      0.4160000       2.757700    
 N   -1.174600      -1.548100      0.7886000    
 C    1.314900     -0.9813000     -0.1248000    
 C   -1.749200     -0.4836000      2.4700001E-02
 C    2.164100     -0.5610000      0.8827000    
 C    1.295300     -0.3659000      -1.363100    
 C    3.018300       1.145500     -0.5988000    
 C   -1.731000      0.8292000      0.4953000    
 C    3.023200      0.5117000      0.6437000    
 C    2.154400      0.7066000      -1.602300    
 C   -2.332700     -0.7745000      -1.208400    
 C   -2.296300       1.851300     -0.2672000    
 C   -2.898000      0.2476000      -1.971100    
 C    3.937600       2.291400     -0.8551000    
 C   -2.879800       1.560400      -1.500400    
 C   -1.129500       1.165200       1.779200    
 H   -1.220200      -1.433800       1.809000    
 H    2.176400      -1.035200       1.858900    
 H   0.6336000     -0.6933000      -2.158700    
 H    3.691200      0.8447000       1.433500    
 H    2.142800       1.191000      -2.575100    
 H   -2.375000      -1.792500      -1.585200    
 H   -2.310600       2.882200      7.6700002E-02
 H   -3.356700      2.0500001E-02  -2.929000    
 H    3.500900       2.995600      -1.571400    
 H    4.135900       2.852300      6.4599998E-02
 H    4.888700       1.927600      -1.256100    
 H   -3.323500       2.355300      -2.092700    
 H  -0.2132000       2.642800       2.664100    


%chk=000022763-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000022763

0 1
S 0.363847 -1.933928 0.278857
O 0.819552 -2.703179 1.631240
O -0.200360 -2.722404 -1.026326
O -3.459449 1.923762 2.934414
O -1.827641 0.298706 3.117473
N -0.881529 -0.763317 0.916755
C 1.781435 -0.823153 -0.290925
C -1.788827 0.001463 0.188776
C 2.659283 -0.332457 0.690541
C 1.924981 -0.564408 -1.661047
C 3.912786 0.792503 -1.113737
C -2.652474 0.917136 0.903066
C 3.726954 0.482757 0.262328
C 3.004879 0.255689 -2.062329
C -1.902257 -0.069262 -1.232135
C -3.567995 1.732135 0.179271
C -2.814691 0.751491 -1.913763
C 5.073534 1.667161 -1.549780
C -3.651270 1.664038 -1.218440
C -2.586555 0.992625 2.366669
H -0.933453 -0.723689 1.958012
H 2.523161 -0.594999 1.744588
H 1.237633 -1.007375 -2.388528
H 4.428873 0.879872 1.004777
H 3.143294 0.474088 -3.126963
H -1.309749 -0.805172 -1.781729
H -4.207047 2.413252 0.748215
H -2.885513 0.670610 -3.004389
H 5.065834 1.841924 -2.638447
H 5.042850 2.651604 -1.047343
H 6.042109 1.200868 -1.289179
H -4.359122 2.295005 -1.763950
H -3.352773 1.893755 3.922731


