%chk=000178523.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000178523

0 1
 S   9.2500001E-02  -1.189900     -0.2684000    
 O  -0.3198000       1.335400      0.3023000    
 N   -2.242500      7.9300001E-02  3.7300002E-02
 C   -4.509900      0.6801000     -0.1885000    
 C   -4.430300     -0.8100000      0.1130000    
 C   -3.155000       1.189500      0.2761000    
 C   -2.987000      -1.152400     -0.2307000    
 C  -0.8659000      0.2588000      7.3200002E-02
 C    1.756000     -0.5613000     -0.1291000    
 C    2.426700     -0.5838000       1.103100    
 C    2.416800     -3.5999998E-02  -1.249900    
 C    3.727600     -9.2399999E-02   1.212200    
 C    3.717800      0.4555000      -1.140800    
 C    4.373100      0.4272000      9.0200000E-02
 H   -4.620100      0.8342000      -1.268600    
 H   -5.343100       1.175900      0.3168000    
 H   -4.612600     -0.9817000       1.180800    
 H   -5.150900      -1.402300     -0.4574000    
 H   -2.828400       2.087000     -0.2576000    
 H   -3.151000       1.397000       1.352000    
 H   -2.607400      -1.984600      0.3687000    
 H   -2.875000      -1.388900      -1.294400    
 H    1.941300     -0.9843000       1.990300    
 H    1.923600     -4.1000000E-03  -2.218800    
 H    4.237900     -0.1141000       2.170700    
 H    4.220600      0.8603000      -2.014300    
 H    5.386000      0.8099000      0.1751000    


%chk=000178523-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000178523

0 1
S 0.073029 -1.127671 -0.413673
O -0.415234 1.283986 0.941717
N -2.285841 0.108276 0.199638
C -4.576732 0.714596 -0.006134
C -4.443716 -0.821550 -0.178035
C -3.265527 1.111664 0.709324
C -2.943932 -1.026047 -0.504336
C -0.940874 0.303842 0.358125
C 1.788623 -0.490432 -0.219591
C 2.287801 -0.072204 1.035148
C 2.622314 -0.495006 -1.362416
C 3.633147 0.347832 1.139609
C 3.971963 -0.090267 -1.243920
C 4.479007 0.334899 0.005813
H -4.632407 1.206276 -0.994421
H -5.469285 1.004575 0.572809
H -4.697476 -1.332297 0.768787
H -5.095624 -1.225000 -0.970520
H -2.918076 2.131402 0.473431
H -3.352517 1.029655 1.810220
H -2.559686 -1.995552 -0.140127
H -2.750002 -0.967348 -1.593170
H 1.633517 -0.060945 1.910214
H 2.218126 -0.805957 -2.331374
H 4.018685 0.680950 2.109521
H 4.618678 -0.098760 -2.128346
H 5.523039 0.655383 0.095007


