%chk=000096129.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000096129

0 1
 S    2.955300     -0.9429000      9.9999997E-05
 N    1.400800       1.122400     -5.0000002E-04
 N    3.715700       1.605500     -7.9999998E-04
 C   0.6007000     -3.1999999E-03 -6.9999998E-04
 C  -0.8315000      0.1066000     -3.9999999E-04
 C    1.261700      -1.213200      3.9999999E-04
 C   -1.526500      0.1612000       1.207700    
 C   -1.527300      0.1587000      -1.208200    
 C   0.7388000      -2.596100      1.4000000E-03
 C    2.660600      0.7476000      3.0000001E-04
 C   -2.917300      0.2679000       1.208100    
 C   -2.918000      0.2655000      -1.207900    
 C   -3.613000      0.3201000      3.0000001E-04
 H  -0.9991000      0.1219000       2.157900    
 H   -1.000500      0.1176000      -2.158700    
 H    1.533300      -3.349600      2.4000001E-03
 H   0.1196000      -2.770000      0.8879000    
 H   0.1204000      -2.771500     -0.8852000    
 H   -3.458500      0.3104000       2.148700    
 H   -3.459800      0.3062000      -2.148300    
 H   -4.695900      0.4032000      6.0000003E-04
 H    4.674500       1.273500     -1.1000000E-03
 H    3.586000       2.611900     -1.7000000E-03


%chk=000096129-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000096129

0 1
S 3.112478 -1.019886 -0.001236
N 1.462954 1.095984 0.000363
N 3.778295 1.708677 0.000559
C 0.648427 -0.058892 -0.000158
C -0.840121 0.086049 0.000089
C 1.298953 -1.283127 -0.000507
C -1.557057 0.159117 1.221930
C -1.558137 0.152317 -1.221507
C 0.726231 -2.677272 -0.000568
C 2.749555 0.790926 0.000179
C -2.963934 0.294880 1.223078
C -2.965021 0.288073 -1.222183
C -3.671983 0.358550 0.000571
H -1.007047 0.116586 2.168739
H -1.008973 0.104542 -2.168563
H 1.517819 -3.444831 -0.000098
H 0.093012 -2.848178 0.889777
H 0.093814 -2.848483 -0.891418
H -3.505439 0.352291 2.174155
H -3.507362 0.340234 -2.173087
H -4.762860 0.463899 0.000760
H 4.752736 1.426067 0.000240
H 3.533663 2.696176 0.001188


