%chk=000050658.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000050658

0 1
 S   -1.243500      -1.982700       1.733100    
 O   -2.535400      0.7241000       2.136600    
 O   0.4995000      0.4985000       1.840700    
 O    1.432900      -3.759600      -2.010200    
 N   -2.451700      -1.208400      0.8367000    
 N   0.9169000      -1.184700      0.2416000    
 N   3.0000000E-03  -3.195000     -0.2765000    
 C   -3.484700       1.404400     -0.9434000    
 C   -4.000900      0.5533000      0.2410000    
 C   -4.701500       1.842400      -1.782000    
 C   -2.542700      0.5873000      -1.843700    
 C   -2.752500       2.664600     -0.4544000    
 C   -2.917700      4.9600001E-02   1.181900    
 C    1.727600      -1.661800     -0.8630000    
 C  -5.4000001E-02  -2.158300      0.4901000    
 C    1.138200      4.0399998E-02  0.8973000    
 C    1.060900      -2.989200      -1.133800    
 C    2.258600      0.8574000      0.4110000    
 C    2.044800       1.792000     -0.5970000    
 C    3.524700      0.6897000      0.9622000    
 C    3.108600       2.567300      -1.058800    
 C    4.588500       1.464900      0.5006000    
 C    4.380400       2.403700     -0.5100000    
 H   -4.572700     -0.3060000     -0.1336000    
 H   -4.703900       1.138800      0.8483000    
 H   -4.395200       2.451500      -2.640000    
 H   -5.248400      0.9751000      -2.169000    
 H   -5.400100       2.438600      -1.184000    
 H   -2.267000       1.154100      -2.740600    
 H   -3.017100     -0.3435000      -2.173700    
 H   -1.611000      0.3304000      -1.329100    
 H   -1.834400       2.413100      8.7200001E-02
 H   -3.387300       3.255500      0.2152000    
 H   -2.467200       3.306800      -1.295500    
 H   -2.831400      -1.698500      3.2099999E-02
 H    2.764200      -1.799100     -0.5482000    
 H    1.636100     -0.9926000      -1.721200    
 H    1.057200       1.926300      -1.030400    
 H    3.696700     -3.9299998E-02   1.749500    
 H    2.946400       3.298000      -1.845600    
 H    5.578900       1.337400      0.9277000    
 H    5.208700       3.007200     -0.8695000    


%chk=000050658-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000050658

0 1
S -1.738887 -2.851725 0.656620
O -3.164725 -0.467147 1.911334
O -0.128334 -0.073678 1.253292
O 2.876725 -4.771854 0.038617
N -2.386533 -1.370469 -0.102123
N 0.904974 -1.770430 0.006771
N 0.615966 -4.054551 0.380045
C -3.075039 1.943176 -0.510266
C -3.855108 0.619937 -0.185893
C -4.096712 2.926123 -1.144317
C -1.938305 1.666670 -1.528098
C -2.488828 2.561846 0.784812
C -3.105821 -0.420231 0.659279
C 2.243278 -2.380672 -0.261466
C 0.048825 -2.850307 0.346674
C 0.741076 -0.404318 0.406429
C 2.005074 -3.879955 0.077826
C 1.662777 0.590486 -0.229917
C 2.083908 0.488183 -1.582031
C 2.044365 1.720951 0.539755
C 2.891375 1.496154 -2.149865
C 2.866613 2.717081 -0.024886
C 3.294030 2.605621 -1.369704
H -4.201646 0.173001 -1.139269
H -4.751111 0.881738 0.405860
H -3.596204 3.870377 -1.428372
H -4.559300 2.499580 -2.055288
H -4.905874 3.172567 -0.431712
H -1.413521 2.605868 -1.783069
H -2.338159 1.239562 -2.469372
H -1.190282 0.971062 -1.111455
H -1.724518 1.905015 1.234973
H -3.279075 2.726292 1.540126
H -2.020651 3.538563 0.557667
H -2.476321 -1.379674 -1.122167
H 3.022725 -1.943744 0.383200
H 2.551685 -2.281808 -1.314842
H 1.749249 -0.351859 -2.200594
H 1.684901 1.802973 1.570856
H 3.201231 1.420831 -3.197506
H 3.169902 3.579910 0.577263
H 3.928774 3.382557 -1.809587


