%chk=000083543.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000083543

0 1
 S   -3.621100      -1.766000     -0.5320000    
 O    4.835400      0.5047000     -0.6627000    
 O    2.798900      0.2180000      -2.517800    
 O    4.359000     -9.3099996E-02   1.999800    
 O   -4.867800      -2.198100      7.0600003E-02
 O   -3.384200      -1.969600      -1.948300    
 O  -0.6275000      -1.074500       2.122000    
 N   -2.318200      -2.419800      0.3535000    
 N  -0.9959000      -1.939200      7.6000001E-03
 C   -3.441100     -3.4000002E-02 -0.2198000    
 C    1.086500     -0.8165000      0.5409000    
 C   -4.083700      0.5247000      0.8705000    
 C   -2.661600      0.7276000      -1.071900    
 C   -3.160300       2.674600      0.2686000    
 C    2.109500     -0.6735000       1.478300    
 C    1.322600     -0.5156000     -0.8005000    
 C    3.604800      7.1199998E-02 -0.2672000    
 C    2.581800     -7.1800001E-02  -1.204500    
 C    3.368700     -0.2296000       1.074200    
 C  -0.2266000      -1.277300      0.9629000    
 C   -3.942200       1.890300       1.116700    
 C   -2.519900       2.093300     -0.8257000    
 C   -3.010100       4.134900      0.5312000    
 C    5.776400     -0.4915000      -1.056700    
 C    2.545100       1.557700      -2.936200    
 C    4.471600       1.173100       2.646400    
 H   -4.690200     -7.0900001E-02   1.545600    
 H   -2.150300      0.2936000      -1.925600    
 H   -2.461100      -2.701900       1.330700    
 H    1.939600     -0.9092000       2.526300    
 H   0.5412000     -0.5912000      -1.551900    
 H   -4.446200       2.331800       1.972400    
 H   -1.907800       2.693600      -1.493600    
 H  -0.6786000      -2.165500     -0.9286000    
 H   -3.074500       4.352500       1.602800    
 H   -3.795900       4.692700      1.2200000E-02
 H   -2.035800       4.499700      0.1887000    
 H    6.705100      9.3000000E-03  -1.343300    
 H    5.988200      -1.171700     -0.2256000    
 H    5.403300      -1.055200      -1.917400    
 H    3.186500       2.259200      -2.393500    
 H    1.492200       1.814500      -2.781900    
 H    2.770400       1.631700      -4.003600    
 H    3.558700       1.400100       3.206200    
 H    4.670500       1.963100       1.915400    
 H    5.309400       1.126500       3.347400    


%chk=000083543-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000083543

0 1
S -2.884212 -0.700816 -0.775039
O 5.379539 -0.230913 -1.278330
O 3.210663 -1.165520 -2.924837
O 4.819234 0.428526 1.484589
O -3.966900 -1.336835 -1.825728
O -1.429679 -0.136516 -1.337629
O -0.346684 -0.291373 1.887116
N -1.934282 -2.243536 0.686316
N -0.627658 -2.029164 0.382245
C -3.755271 0.743192 0.090202
C 1.487425 -0.747893 0.327493
C -5.109207 0.959278 -0.214046
C -3.028978 1.531647 0.997061
C -5.072587 2.876346 1.339311
C 2.517999 -0.235525 1.153910
C 1.731277 -0.999227 -1.046344
C 4.083887 -0.362889 -0.740248
C 3.022815 -0.809375 -1.583353
C 3.802220 -0.032500 0.620124
C 0.142340 -0.948666 0.919764
C -5.760496 2.039642 0.420699
C -3.706489 2.604390 1.618918
C -5.777034 4.051974 1.991946
C 6.391354 -1.140789 -0.678007
C 3.832430 -0.160395 -3.818953
C 5.405700 1.740955 1.118067
H -5.622074 0.307032 -0.928682
H -1.976602 1.321475 1.221291
H -2.116373 -1.672721 1.554851
H 2.323107 0.006678 2.202193
H 0.923306 -1.270703 -1.733151
H -6.816536 2.233148 0.198977
H -3.164179 3.234612 2.333083
H -0.262248 -2.577248 -0.400630
H -6.848108 3.842609 2.158496
H -5.714782 4.951884 1.349668
H -5.321722 4.309801 2.963638
H 7.339238 -0.888757 -1.176384
H 6.465469 -0.973635 0.410722
H 6.118256 -2.190622 -0.887836
H 4.835437 0.119430 -3.458274
H 3.182752 0.732422 -3.888724
H 3.893112 -0.655345 -4.799548
H 4.628364 2.526399 1.162172
H 5.852634 1.707834 0.108414
H 6.178346 1.934387 1.877078


