%chk=000072748.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000072748

0 1
 S   -3.686400      0.9739000     -0.2921000    
 O   -2.559000       3.705300     -0.3772000    
 O  -0.2792000      -1.838500     -0.2748000    
 N    5.172800     -0.4263000     -5.6200001E-02
 N    1.496500     -8.3300002E-02 -0.1647000    
 C    3.779000     -0.8524000     -4.2599998E-02
 C    2.854700      0.3535000     -0.1523000    
 C   0.4041000      0.8164000     -0.2313000    
 C    6.066900      -1.583900      9.8999999E-03
 C    5.443900      0.4879000       1.055000    
 C  -0.9401000      0.4041000     -0.2239000    
 C   -1.957300       1.360700     -0.2724000    
 C   -1.215300      -1.050900     -0.1647000    
 C   0.7335000       2.170000     -0.2847000    
 C   -2.583300      -1.585000      3.4400001E-02
 C   -1.610000       2.721600     -0.3276000    
 C   -3.719800     -0.7728000      4.4999998E-03
 C    5.803200      -2.547300      -1.134900    
 C    6.876500      0.9920000       1.014100    
 C  -0.2746000       3.124000     -0.3326000    
 C   -2.720500      -2.966200      0.2599000    
 C   -4.981600      -1.359900      0.2020000    
 C   -3.978500      -3.534200      0.4560000    
 C   -5.110400      -2.730300      0.4273000    
 C   -3.015100       4.221600      0.8689000    
 H    3.543600      -1.429400      0.8623000    
 H    3.549500      -1.492900     -0.9016000    
 H    3.095900      0.9123000      -1.065100    
 H    2.969600       1.003800      0.7181000    
 H    7.110400      -1.271600     -0.1010000    
 H    5.979100      -2.115700      0.9658000    
 H    4.845100       1.398800      0.9794000    
 H    5.235500      2.8300000E-02   2.029100    
 H    1.299800      -1.074300     -0.1186000    
 H    1.751300       2.545300     -0.2938000    
 H    4.893600      -3.137300     -0.9856000    
 H    5.741200      -2.029300      -2.098100    
 H    6.628600      -3.265000      -1.205400    
 H    7.596300      0.2338000       1.337400    
 H    7.155200       1.345300      1.5200000E-02
 H    6.988100       1.838500       1.701500    
 H  -1.6600000E-02   4.178700     -0.3759000    
 H   -1.853800      -3.622200      0.2911000    
 H   -5.886400     -0.7549000      0.1815000    
 H   -4.072100      -4.601900      0.6307000    
 H   -6.093300      -3.166400      0.5783000    
 H   -3.899100       4.837500      0.6819000    
 H   -2.240700       4.852200       1.317000    
 H   -3.287500       3.422500       1.565300    


%chk=000072748-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000072748

0 1
S -3.842998 0.831195 0.120518
O -2.943646 3.425839 -0.237725
O -0.271543 -2.017595 0.449396
N 5.173766 -0.576468 0.178130
N 1.427980 -0.122788 0.156440
C 3.743820 -0.963579 0.135023
C 2.831912 0.280350 0.068491
C 0.368745 0.752072 0.061688
C 6.064178 -1.529213 -0.538759
C 5.641390 -0.268096 1.558397
C -1.010272 0.260083 0.150855
C -2.067877 1.221980 0.040144
C -1.256707 -1.176412 0.348633
C 0.595957 2.146875 -0.124326
C -2.636939 -1.734303 0.442961
C -1.803456 2.600907 -0.146623
C -3.825341 -0.963826 0.357114
C 5.962803 -1.406057 -2.070868
C 6.828472 0.713432 1.586900
C -0.468827 3.053482 -0.226469
C -2.762535 -3.142206 0.631559
C -5.100300 -1.579756 0.455554
C -4.019056 -3.758028 0.730237
C -5.196903 -2.970045 0.641261
C -2.728490 4.857189 -0.436336
H 3.451725 -1.590476 1.013964
H 3.561068 -1.578415 -0.764673
H 3.039624 0.815207 -0.880925
H 3.093719 0.979112 0.892376
H 7.103877 -1.306974 -0.237315
H 5.865125 -2.586584 -0.228754
H 4.795850 0.186862 2.107379
H 5.908181 -1.202972 2.113825
H 1.144867 -1.114788 0.302562
H 1.620688 2.519550 -0.188198
H 4.943530 -1.627943 -2.436123
H 6.221182 -0.380432 -2.386880
H 6.654765 -2.115308 -2.562461
H 7.713312 0.306361 1.064879
H 6.550025 1.660494 1.092792
H 7.126221 0.929744 2.630035
H -0.253473 4.116761 -0.369104
H -1.832897 -3.715617 0.694602
H -6.006409 -0.967474 0.386010
H -4.091730 -4.840944 0.874713
H -6.183867 -3.439458 0.716499
H -3.736218 5.295750 -0.479266
H -2.194845 5.057026 -1.386469
H -2.165155 5.301586 0.407836


