%chk=000108285.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000108285

1 1
 S   -1.221000       1.969300      -1.558000    
 O   -3.625300      -2.013500      0.4216000    
 N   -1.868000      0.1544000      0.2130000    
 N    2.263200       1.256600       1.461800    
 C   -3.249600      0.2644000     -0.3397000    
 C   -1.700500     -0.8313000       1.320600    
 C  -0.8900000      0.8585000     -0.2353000    
 C   -3.717600      -1.136300     -0.7061000    
 C   -2.267100      -2.162400      0.8494000    
 C   0.4840000      0.7997000      0.2600000    
 C    1.519300     -3.6300000E-02 -0.1972000    
 C    2.639400      0.2697000      0.5788000    
 C   0.9476000       1.584100       1.271500    
 C    1.633600      -1.027900      -1.191600    
 C    3.872900     -0.3690000      0.4092000    
 C    2.861300      -1.675200      -1.372600    
 C    3.962500      -1.349200     -0.5833000    
 C   -1.644700       3.444400     -0.6021000    
 H   -3.366600      0.9091000      -1.208200    
 H   -3.863700      0.6706000      0.4725000    
 H   -2.273100     -0.4391000       2.168100    
 H  -0.6558000     -0.9433000       1.617000    
 H   -4.768000      -1.107100      -1.013400    
 H   -3.140600      -1.554400      -1.540400    
 H   -1.674100      -2.590600      3.1500001E-02
 H   -2.257700      -2.881500       1.674800    
 H   0.4769000       2.343400       1.880600    
 H    2.870900       1.677600       2.151000    
 H   0.7839000      -1.294100      -1.814000    
 H    4.730700     -0.1159000       1.023200    
 H    2.955100      -2.441100      -2.137900    
 H    4.906500      -1.864600     -0.7408000    
 H  -0.7811000       3.791900     -2.9600000E-02
 H   -2.472700       3.240200      8.1799999E-02
 H   -1.948500       4.240700      -1.286700    


%chk=000108285-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000108285

1 1
S -1.459323 1.331472 -1.694623
O -4.121951 -2.180111 0.690376
N -2.191818 -0.025679 0.534427
N 1.867859 0.829369 1.992484
C -3.626308 0.174974 0.151064
C -2.053395 -1.102898 1.568278
C -1.135980 0.552658 -0.086941
C -4.233376 -1.154209 -0.352572
C -2.717933 -2.400073 1.037059
C 0.195655 0.550689 0.475289
C 1.470017 0.287307 -0.198315
C 2.499302 0.462211 0.784966
C 0.504034 0.870486 1.821757
C 1.832244 -0.130212 -1.504789
C 3.867110 0.259596 0.509181
C 3.196483 -0.335131 -1.791077
C 4.202094 -0.137619 -0.800388
C -0.138291 2.678939 -1.808884
H -3.709889 0.969816 -0.606173
H -4.160198 0.487499 1.067267
H -2.565904 -0.767527 2.487844
H -0.989833 -1.279969 1.783647
H -5.310504 -1.030961 -0.542930
H -3.729754 -1.487156 -1.284124
H -2.153687 -2.777736 0.157814
H -2.716663 -3.166598 1.827944
H -0.163761 1.172543 2.626980
H 2.356015 1.059146 2.859080
H 1.072970 -0.305318 -2.274646
H 4.639021 0.393709 1.273455
H 3.494390 -0.656688 -2.794013
H 5.251656 -0.306642 -1.059923
H 0.798920 2.257327 -2.193380
H 0.009107 3.130505 -0.818021
H -0.556208 3.418082 -2.508614


