%chk=000047921.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000047921

0 1
 S   0.5602000     -0.9124000     -0.9898000    
 O   -5.095900      -1.274700     -0.1349000    
 N   -1.048500       2.383300      0.4067000    
 N    3.252300      -2.757400      0.2760000    
 N    1.465300      -4.136800      9.7900003E-02
 N    3.571500      -4.035600      2.9100001E-02
 N    2.544100      -4.888700     -8.3800003E-02
 C   -1.815000      0.3626000     -0.1470000    
 C   3.1399999E-02   1.660800     -2.4800001E-02
 C   -2.189500       1.615500      0.3433000    
 C  -0.4109000      0.4057000     -0.3739000    
 C    1.354100       2.243200     -5.6100000E-02
 C   -2.806100     -0.6252000     -0.3117000    
 C   -3.511000       1.930900      0.6790000    
 C   -4.132200     -0.3240000      2.0199999E-02
 C   -4.476800      0.9352000      0.5078000    
 C    1.794400       2.905900      -1.200100    
 C    2.184900       2.140500       1.057800    
 C    1.033100      -1.731600      0.5556000    
 C    3.070500       3.468200      -1.230200    
 C    3.460900       2.702900       1.027700    
 C    3.903900       3.366800     -0.1163000    
 C    1.939300      -2.892300      0.3056000    
 C   -4.679900      -2.542600     -0.6380000    
 H   -1.018900       3.341900      0.7267000    
 H   -2.486500      -1.587200     -0.6929000    
 H   -3.780200       2.910900       1.058500    
 H   -5.511500       1.153900      0.7614000    
 H    1.156900       2.993300      -2.076600    
 H    1.854400       1.626600       1.957300    
 H   0.1293000      -2.081000       1.066800    
 H    1.527300      -1.011500       1.216700    
 H    3.415400       3.985000      -2.121000    
 H    4.109900       2.623800       1.895000    
 H    4.897500       3.804500     -0.1397000    
 H   -5.572300      -3.174400     -0.6978000    
 H   -3.983900      -3.039600      4.6399999E-02
 H   -4.278900      -2.461800      -1.654100    
 H    4.534500      -4.339800     -6.6000000E-02


%chk=000047921-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000047921

0 1
S 1.227964 -0.567139 -0.987376
O -4.397924 -1.854951 0.108540
N -0.920888 2.489631 0.550669
N 2.095867 -4.118506 -0.343553
N -0.178065 -3.783160 -0.300274
N 1.385621 -5.202999 -0.781980
N 0.006173 -5.039815 -0.769572
C -1.353781 0.323390 -0.031449
C 0.287719 1.958356 0.064145
C -1.933084 1.521412 0.503045
C 0.038677 0.615503 -0.304971
C 1.500974 2.789632 0.039101
C -2.141547 -0.848834 -0.181117
C -3.296177 1.586938 0.869979
C -3.498346 -0.778324 0.195066
C -4.071700 0.426848 0.711849
C 2.504731 2.618190 -0.955419
C 1.688674 3.809594 1.018487
C 1.320569 -1.859639 0.458404
C 3.654877 3.434610 -0.964831
C 2.833787 4.631932 0.998914
C 3.825051 4.448710 0.006433
C 1.088478 -3.236317 -0.046147
C -3.872864 -3.114932 -0.432428
H -1.058506 3.474698 0.769130
H -1.693041 -1.767242 -0.569697
H -3.743956 2.502658 1.270983
H -5.131723 0.413579 0.982351
H 2.372788 1.855009 -1.727321
H 0.956257 3.931789 1.826036
H 0.537657 -1.557636 1.168309
H 2.316966 -1.767194 0.912692
H 4.414509 3.286421 -1.740350
H 2.960246 5.405163 1.764966
H 4.716514 5.085237 -0.008470
H -4.715093 -3.820850 -0.384417
H -3.022039 -3.491114 0.165616
H -3.544446 -2.990065 -1.482655
H 1.832186 -6.065780 -1.091886


