%chk=000026662.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000026662

0 1
 S   0.7714000      -2.394400     -0.9647000    
 O   -2.298300      0.7179000       1.685200    
 O    2.105600       1.827200       1.590600    
 N  -0.9007000     -0.5917000      0.3199000    
 N    1.440900     -8.9999998E-04  0.2681000    
 C  -0.1945000       1.616000       1.094800    
 C  -0.4543000       2.545400     -8.9900002E-02
 C   -1.822400       3.218700      1.6000001E-02
 C   -1.227600      0.5321000       1.102000    
 C    1.228200       1.151000       1.048700    
 C   -2.064300       4.173000      -1.153200    
 C   0.4213000     -0.9342000     -0.1440000    
 C   -2.010200      -1.465700      3.8899999E-02
 C    2.819400     -0.2470000     -6.8599999E-02
 C   -3.410000       4.870300      -1.034100    
 C   -2.776300      -1.251200      -1.097700    
 C    3.600300      -1.021100      0.7773000    
 C   -2.294700      -2.508300      0.9086000    
 C    3.344100      0.2933000      -1.233600    
 C   -3.850700      -2.097900      -1.370400    
 C    4.935300      -1.259900      0.4512000    
 C   -3.369100      -3.355000      0.6357000    
 C    4.679200      5.4400001E-02  -1.559800    
 C   -4.147000      -3.149700     -0.5038000    
 C    5.474700     -0.7223000     -0.7173000    
 H  -0.3083000       2.168600       2.037800    
 H  -0.3943000       1.991000      -1.035900    
 H   0.3265000       3.315800     -0.1340000    
 H   -2.626200       2.475600      6.6000000E-03
 H   -1.892700       3.769000      0.9620000    
 H   -2.026400       3.620500      -2.099400    
 H   -1.271400       4.929300      -1.187000    
 H   -3.467100       5.458500     -0.1127000    
 H   -4.229300       4.144200      -1.029900    
 H   -3.561700       5.548300      -1.879800    
 H   -2.552700     -0.4332000      -1.777100    
 H    3.189500      -1.442200       1.690800    
 H   -1.695800      -2.674400       1.799800    
 H    2.731200      0.9000000      -1.894700    
 H   -4.456500      -1.937900      -2.257400    
 H    5.554800      -1.864100       1.107400    
 H   -3.600400      -4.173800       1.310800    
 H    5.099200      0.4731000      -2.469500    
 H   -4.983700      -3.808900     -0.7161000    
 H    6.514200     -0.9082000     -0.9712000    


%chk=000026662-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000026662

0 1
S 0.735918 -2.227068 -1.213959
O -2.435687 0.628235 1.518797
O 2.109892 1.881250 1.417897
N -0.922183 -0.615644 0.236421
N 1.397748 0.007335 0.206925
C -0.282490 1.661579 1.028327
C -0.548904 2.690738 -0.136125
C -1.877873 3.461060 0.012347
C -1.299711 0.538058 0.990671
C 1.163050 1.206233 0.943876
C -2.088373 4.471307 -1.139765
C 0.387886 -0.884983 -0.229437
C -1.969967 -1.611800 -0.001121
C 2.796377 -0.314401 -0.089166
C -3.402827 5.267796 -0.992501
C -2.836354 -1.459418 -1.101906
C 3.526151 -1.120846 0.807144
C -2.121797 -2.680265 0.905826
C 3.400008 0.229517 -1.240780
C -3.865242 -2.404663 -1.305752
C 4.882964 -1.400216 0.535236
C -3.152005 -3.621929 0.697028
C 4.756856 -0.053552 -1.507455
C -4.023323 -3.486653 -0.408971
C 5.498900 -0.869482 -0.622053
H -0.411255 2.201963 1.981770
H -0.520386 2.160960 -1.109852
H 0.296438 3.405441 -0.126226
H -2.730584 2.757250 0.051120
H -1.879771 4.002404 0.980050
H -2.089623 3.930137 -2.108165
H -1.231070 5.173937 -1.175324
H -3.413588 5.843202 -0.047932
H -4.277754 4.591277 -0.981664
H -3.536992 5.982380 -1.824989
H -2.699538 -0.620455 -1.792071
H 3.038056 -1.524221 1.700259
H -1.441379 -2.773265 1.758513
H 2.813369 0.855624 -1.921061
H -4.539651 -2.297281 -2.161988
H 5.457262 -2.027600 1.225128
H -3.275570 -4.456343 1.395482
H 5.232725 0.360368 -2.402825
H -4.822271 -4.218691 -0.569964
H 6.551768 -1.088076 -0.831367


