%chk=000013979.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000013979

0 1
 S  -0.4016000       1.674300       1.845600    
 O   0.7998000       2.160300     -0.3899000    
 N   -1.452600       1.342900     -0.7311000    
 C   -2.962900     -0.4843000     -0.1100000    
 C   -2.708100      0.8812000     -0.3172000    
 C   -4.252000     -0.8921000      0.3081000    
 C   -3.709900       1.831000     -0.1149000    
 C   -1.966700      -1.453900     -0.3088000    
 C   -5.248300      7.7600002E-02  0.5070000    
 C    3.334000     -0.4964000     -0.2797000    
 C    4.404000      0.1937000      0.3384000    
 C   -4.506800      -2.257600      0.5152000    
 C   -4.977500       1.429900      0.2964000    
 C    2.025200       1.492300     -0.1435000    
 C    2.127000      0.1806000     -0.5185000    
 C  -0.4063000       1.715100      0.1695000    
 C   -1.202800       1.528800      -2.187800    
 C   -2.237500      -2.806300     -9.8300003E-02
 C   -3.505000      -3.207300      0.3129000    
 C    4.235300       1.540400      0.6994000    
 C    3.029000       2.197300      0.4545000    
 C    3.502700      -1.843000     -0.6407000    
 C    5.611100     -0.4833000      0.5772000    
 C    4.708900      -2.500000     -0.3958000    
 C    5.761100      -1.821300      0.2119000    
 H   -3.514800       2.888600     -0.2754000    
 H  -0.9649000      -1.187100     -0.6334000    
 H   -6.246400     -0.2130000      0.8283000    
 H   -5.490300      -2.593900      0.8367000    
 H   -5.757000       2.169700      0.4537000    
 H    1.298700     -0.3310000     -0.9993000    
 H  -0.9575000       2.579500      -2.368800    
 H  -0.3534000      0.9058000      -2.480700    
 H   -2.085800       1.246300      -2.768100    
 H   -1.458400      -3.546300     -0.2565000    
 H   -3.715300      -4.260300      0.4764000    
 H    5.044200       2.090600       1.175500    
 H    2.907700       3.238000      0.7359000    
 H    2.693400      -2.393100      -1.116600    
 H    6.446900      2.7400000E-02   1.051100    
 H    4.826300      -3.541700     -0.6798000    
 H    6.699800      -2.333400      0.4023000    


%chk=000013979-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000013979

0 1
S -0.207077 0.075038 1.628018
O 0.799478 1.066537 -0.759186
N -1.454255 0.874049 -0.686744
C -3.482977 -0.534832 -0.331815
C -2.753033 0.676380 -0.065702
C -4.812072 -0.673276 0.229892
C -3.303024 1.691212 0.718593
C -2.943905 -1.605291 -1.118178
C -5.349805 0.384428 1.034631
C 4.013557 -0.633762 0.224774
C 4.918448 0.495184 0.123135
C -5.553780 -1.873032 -0.031941
C -4.608311 1.542044 1.278553
C 2.153226 0.820796 -0.385099
C 2.618763 -0.446215 -0.044597
C -0.300836 0.670149 0.038383
C -1.451658 1.403188 -2.074947
C -3.691417 -2.761002 -1.353775
C -5.008861 -2.895941 -0.810081
C 4.387518 1.776999 -0.240105
C 3.024955 1.944690 -0.487582
C 4.542694 -1.916557 0.590243
C 6.313434 0.295484 0.388775
C 5.906399 -2.079784 0.843265
C 6.800111 -0.965260 0.741448
H -2.717379 2.595093 0.914893
H -1.928164 -1.510640 -1.516289
H -6.354172 0.269490 1.458963
H -6.559095 -1.975070 0.393969
H -5.021338 2.344164 1.898945
H 1.929067 -1.291009 0.033824
H -1.407526 2.508517 -2.078822
H -0.582577 1.017546 -2.627621
H -2.381142 1.079438 -2.569883
H -3.268179 -3.576216 -1.950698
H -5.583389 -3.808488 -1.002753
H 5.067465 2.633073 -0.318070
H 2.602858 2.916669 -0.759106
H 3.857364 -2.768197 0.673481
H 6.995173 1.151128 0.312410
H 6.299492 -3.063084 1.123960
H 7.867271 -1.107642 0.944042


