%chk=000100236.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000100236

0 1
 S   0.8499000      -2.300200     -0.8899000    
 O   0.3948000       2.664500      0.2247000    
 N   0.5589000      0.3489000     -0.2013000    
 N    2.744700     -0.6214000     -0.3029000    
 C  -0.8686000      0.1878000     -0.1996000    
 C   -1.552400     -0.1198000      0.9765000    
 C   -1.571200      0.3441000      -1.394400    
 C   -2.938900     -0.2710000      0.9580000    
 C    1.453800     -0.7212000     -0.3920000    
 C    1.053500       1.642900      3.8899999E-02
 C  -0.8257000     -0.2932000       2.270700    
 C   -2.957800      0.1929000      -1.413000    
 C   -3.641600     -0.1146000     -0.2368000    
 C    2.528400       1.730000      0.1268000    
 C    3.246900      0.6166000     -2.4900001E-02
 C    1.525200      -3.286300      0.4593000    
 H   -1.049300      0.5847000      -2.317100    
 H   -3.487700     -0.5109000       1.864800    
 H   -1.513600     -0.5080000       3.095900    
 H  -0.1214000      -1.126700       2.213400    
 H  -0.2844000      0.6211000       2.534500    
 H   -3.505000      0.3147000      -2.343200    
 H   -4.721200     -0.2324000     -0.2515000    
 H    2.987100       2.688700      0.3348000    
 H    4.328000      0.6682000      5.2999999E-02
 H    2.617700      -3.303400      0.4170000    
 H    1.162800      -4.313800      0.3697000    
 H    1.209300      -2.892400       1.428000    


%chk=000100236-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000100236

0 1
S 0.500699 -2.463356 -0.213141
O 0.297889 2.604352 0.370450
N 0.510860 0.269393 0.052483
N 2.666438 -0.799744 0.023398
C -0.940962 0.146402 -0.054463
C -1.738658 0.169004 1.120489
C -1.508066 0.025825 -1.341005
C -3.140259 0.045600 0.953503
C 1.336978 -0.848773 -0.032226
C 1.069459 1.612229 0.253056
C -1.120410 0.340916 2.492164
C -2.906605 -0.093822 -1.481023
C -3.722544 -0.085555 -0.327155
C 2.523905 1.626305 0.293397
C 3.247977 0.452249 0.178753
C 2.015741 -3.581933 -0.198695
H -0.853753 0.031149 -2.218821
H -3.780550 0.059252 1.843105
H -1.876410 0.216324 3.285144
H -0.310983 -0.390395 2.671594
H -0.682078 1.351460 2.590035
H -3.352103 -0.186685 -2.476822
H -4.810148 -0.175949 -0.423990
H 3.009476 2.595907 0.423100
H 4.342393 0.454414 0.210138
H 2.676804 -3.315852 -1.034030
H 1.615318 -4.601645 -0.312874
H 2.551790 -3.467270 0.752837


