%chk=000052616.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000052616

0 1
 S   -1.947700     -0.6195000     -0.6254000    
 O   -1.596700      -1.207100      -1.900600    
 O   -2.561700      -1.390900      0.4368000    
 N  -0.6049000      0.2817000     -4.4000000E-03
 C   0.2707000     -0.3770000      0.9834000    
 C    1.673900      0.2852000      0.9532000    
 C    2.605000      0.1945000     -0.2969000    
 C  -0.9803000       1.689100      0.3303000    
 C   -2.929500      0.8426000     -0.8864000    
 C   -2.504300       1.774300      0.2380000    
 C   0.2646000      -1.878100      0.7018000    
 C  -0.3590000     -0.1282000       2.367100    
 C    3.572600       1.389000     -0.3832000    
 C    1.696200      0.2602000      -1.548700    
 C    3.401100      -1.115600     -0.3650000    
 H    1.549500       1.353900       1.177500    
 H    2.247400     -0.1024000       1.808100    
 H  -0.5469000       2.328800     -0.4478000    
 H  -0.6318000       2.085400       1.281700    
 H   -3.989800      0.5857000     -0.8465000    
 H   -2.674400       1.254000      -1.867200    
 H   -2.944400       1.433500       1.183100    
 H   -2.843200       2.800200      6.6200003E-02
 H  -0.6099000      -2.404400       1.093200    
 H    1.105700      -2.341900       1.234100    
 H   0.3875000      -2.143700     -0.3508000    
 H  -0.1431000      0.8627000       2.779000    
 H   -1.442800     -0.2731000       2.390400    
 H   6.6600002E-02 -0.8316000       3.095000    
 H    4.233400       1.412000      0.4905000    
 H    3.030000       2.340400     -0.4160000    
 H    4.203100       1.334000      -1.277800    
 H    1.108300       1.180700      -1.589200    
 H    1.060500     -0.6149000      -1.678700    
 H    2.324000      0.2815000      -2.450500    
 H    4.062300      -1.132400      -1.239300    
 H    4.028900      -1.234200      0.5249000    
 H    2.753800      -1.993100     -0.4362000    


%chk=000052616-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000052616

0 1
S -2.258484 -0.752471 -0.315266
O -1.976327 -1.818060 -1.506067
O -3.074922 -1.265529 1.012360
N -0.675905 0.233519 0.035869
C 0.284884 -0.410715 1.013893
C 1.660655 0.338124 0.883346
C 2.594007 0.240843 -0.373612
C -1.041208 1.669865 0.229069
C -3.096801 0.865300 -0.969842
C -2.575202 1.895573 0.025985
C 0.380422 -1.920968 0.686861
C -0.201030 -0.261507 2.490362
C 3.687725 1.334356 -0.175817
C 1.854658 0.522198 -1.707835
C 3.320262 -1.131359 -0.467265
H 1.458638 1.414956 1.059736
H 2.257022 0.003002 1.758347
H -0.479388 2.256727 -0.523054
H -0.763164 2.035112 1.235082
H -4.176763 0.666130 -0.929631
H -2.724109 0.975686 -1.999295
H -3.108721 1.776946 0.985614
H -2.753455 2.921614 -0.340121
H -0.529792 -2.452180 1.020084
H 1.238740 -2.359035 1.223786
H 0.501420 -2.101271 -0.392116
H -0.179193 0.788662 2.837198
H -1.228004 -0.654170 2.594319
H 0.461933 -0.839216 3.159225
H 4.250058 1.175445 0.764578
H 3.241138 2.346589 -0.139853
H 4.412290 1.312811 -1.011185
H 1.404386 1.533468 -1.709655
H 1.045756 -0.203460 -1.890335
H 2.571386 0.474429 -2.550387
H 4.109905 -1.085085 -1.241131
H 3.804947 -1.394452 0.492706
H 2.636935 -1.950578 -0.742253


