%chk=000073239.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000073239

0 1
 S    2.989300      0.9604000      3.0000001E-04
 O  -0.8913000       1.618600      3.0000001E-04
 O   0.8557000       3.117700     -2.3000001E-03
 N    2.037400      -1.443100      1.4000000E-03
 N    4.397200      -1.295700      1.9999999E-04
 C   0.9671000     -0.5700000      6.9999998E-04
 C  -0.3841000      -1.056700      1.9999999E-04
 C    1.284600      0.7722000     -8.9999998E-04
 C   -1.039300      -1.295000      -1.207900    
 C   -1.041400      -1.290600       1.208100    
 C    3.153100     -0.7479000      1.1000000E-03
 C   0.4516000       1.930500     -6.9999998E-04
 C   -2.351800      -1.767100      -1.208100    
 C   -2.353900      -1.762700       1.207700    
 C   -3.009200      -2.001100     -3.0000001E-04
 C   -1.830700       2.698900     -5.0000002E-04
 C   -3.234300       2.131700      7.9999998E-04
 H  -0.5413000      -1.117200      -2.158100    
 H  -0.5450000      -1.109300       2.158500    
 H   -2.862400      -1.951800      -2.148700    
 H   -2.866200      -1.944000       2.148100    
 H   -4.031400      -2.367800     -6.0000003E-04
 H   -1.676200       3.313800      0.8926000    
 H   -1.677100       3.311700     -0.8953000    
 H   -3.979300       2.932100      9.9999997E-05
 H   -3.394900       1.498600     -0.8779000    
 H   -3.394200       1.500800      0.8812000    
 H    5.234000     -0.7218000     -6.0000003E-04
 H    4.538600      -2.300400     -9.9999997E-05


%chk=000073239-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000073239

0 1
S 3.065482 1.094908 0.000111
O -0.936794 1.761161 -0.000457
O 0.892400 3.220526 -0.000303
N 2.049002 -1.396932 -0.000011
N 4.430488 -1.347191 -0.000054
C 0.950561 -0.530284 0.000017
C -0.419654 -1.127847 0.000082
C 1.255493 0.835864 -0.000272
C -1.065875 -1.433452 -1.222411
C -1.068132 -1.428319 1.222650
C 3.206631 -0.730383 -0.000054
C 0.431341 2.044996 -0.000844
C -2.349083 -2.023811 -1.222402
C -2.351314 -2.018729 1.222748
C -2.996580 -2.316372 0.000196
C -1.840750 2.951482 -0.000238
C -3.266695 2.410313 0.000036
H -0.565389 -1.205466 -2.169784
H -0.569417 -1.196307 2.169978
H -2.841092 -2.256320 -2.173565
H -2.845053 -2.247304 2.173969
H -3.991798 -2.775326 0.000243
H -1.615428 3.560297 0.894290
H -1.615792 3.560325 -0.894839
H -3.986230 3.249613 0.000173
H -3.451316 1.789631 -0.893247
H -3.450984 1.789622 0.893380
H 5.301403 -0.824467 -0.000007
H 4.449173 -2.365426 -0.000087


