%chk=000038426.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000038426

0 1
 S   -2.110800      -2.396100     -0.6400000    
 O    3.741500      -1.057500      1.2700000E-02
 N    1.372500      0.5056000      0.2284000    
 N   -2.136400      0.8324000      0.3240000    
 N   -3.946900     -0.3364000       1.391900    
 C   0.6685000       1.777200      0.3795000    
 C    2.179800      0.4989000     -0.9995000    
 C    2.227000      0.2404000       1.394200    
 C    2.913600     -0.8328000      -1.129100    
 C    2.960700      -1.084600       1.208200    
 C  -0.2928000       1.992000     -0.7907000    
 C   -1.332500      0.8813000     -0.8984000    
 C   -3.060800     -6.7199998E-02  0.3728000    
 C   -3.183400     -0.9532000     -0.8541000    
 H    1.372200       2.618400      0.4275000    
 H   0.1043000       1.785100       1.320200    
 H    2.909600       1.318600     -0.9830000    
 H    1.570200      0.5989000      -1.901200    
 H    1.620900      0.1854000       2.305700    
 H    2.959500       1.048300       1.520500    
 H    2.215100      -1.670600      -1.245500    
 H    3.562000     -0.8175000      -2.011000    
 H    3.643000      -1.254000       2.047400    
 H    2.264000      -1.931000       1.171100    
 H   0.2259000       2.131300      -1.744300    
 H  -0.8171000       2.940800     -0.6113000    
 H   -1.954300       1.168500      -1.755000    
 H  -0.8099000     -5.1100001E-02  -1.118700    
 H   -4.211200      -1.334900     -0.8915000    
 H   -3.035400     -0.4792000      -1.823100    
 H   -3.932800      0.2055000       2.249200    
 H   -4.632200      -1.081700       1.328000    
 H   -2.476700      -3.026400      -1.765600    


%chk=000038426-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000038426

0 1
S -2.077217 -2.850079 0.662111
O 3.304647 -1.415743 -0.173839
N 1.086215 0.464289 0.046752
N -2.490985 1.210278 -0.307149
N -3.610732 -0.241446 1.132718
C 0.443879 1.761643 0.406294
C 2.114075 0.596375 -1.021084
C 1.688870 -0.181704 1.248019
C 2.705517 -0.782020 -1.359139
C 2.283990 -1.549650 0.879048
C -0.359094 2.421405 -0.733308
C -1.469471 1.516395 -1.327290
C -2.646818 -0.006050 0.164893
C -1.823278 -1.222649 -0.292090
H 1.208624 2.491067 0.777207
H -0.249099 1.559414 1.244824
H 2.938090 1.283466 -0.702748
H 1.648591 1.020978 -1.928887
H 0.901289 -0.313176 2.014897
H 2.492920 0.459037 1.688716
H 1.907023 -1.438694 -1.769571
H 3.524304 -0.693846 -2.092250
H 2.804140 -2.001689 1.739579
H 1.477517 -2.233457 0.534169
H 0.308912 2.757707 -1.550891
H -0.835773 3.329272 -0.316046
H -1.965229 2.080655 -2.142067
H -0.986620 0.627792 -1.787953
H -2.019659 -1.435140 -1.355939
H -0.747418 -0.980825 -0.190524
H -4.152729 0.552818 1.466650
H -3.642645 -1.141614 1.610112
H -3.184733 -3.290409 -0.045915


