%chk=000054928.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000054928

0 1
 S  -0.1012000      -1.133200     -0.4401000    
 S    1.265600      0.6902000      -2.329700    
 O   -4.034000      -1.672300     -4.3900002E-02
 N   -2.632900     -0.1398000      0.1304000    
 N    2.430100     -0.2393000     -5.7000001E-03
 N   -3.359700     -0.8611000     -0.6860000    
 C   -1.299900      0.2314000     -0.3593000    
 C  -0.8548000       1.247200      0.6875000    
 C   -2.126800       2.016400       1.012200    
 C   -3.271300       1.092300      0.6089000    
 C    1.335400     -0.1946000     -0.8917000    
 C    3.667700      0.5055000     -0.2494000    
 C    2.447200      -1.016700       1.237300    
 C    3.596700       1.904000      0.3283000    
 C    2.937900      -2.430000       1.001200    
 H   -1.404700      0.7194000      -1.336500    
 H  -7.3100001E-02   1.928200      0.3374000    
 H  -0.4959000      0.7631000       1.605800    
 H   -2.166700       2.282300       2.073400    
 H   -2.168300       2.943400      0.4287000    
 H   -3.930000      0.8880000       1.460500    
 H   -3.869100       1.582300     -0.1716000    
 H    3.869200      0.5626000      -1.323300    
 H    4.511400     -4.1400000E-02  0.1874000    
 H    1.454400      -1.038500       1.694100    
 H    3.095200     -0.5142000       1.965300    
 H    3.442500       1.876600       1.412000    
 H    2.775300       2.482400     -0.1052000    
 H    4.529500       2.442500      0.1336000    
 H    3.956900      -2.432800      0.6007000    
 H    2.303900      -2.966800      0.2891000    
 H    2.943100      -2.991600       1.940600    


%chk=000054928-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000054928

0 1
S 0.237062 0.401490 1.196153
S 1.477580 1.743608 -1.371710
O -2.899507 -1.743548 -1.182195
N -2.248386 0.093178 -0.099531
N 2.746745 -0.047661 0.255362
N -1.915853 -0.940865 -0.937874
C -1.250786 1.118779 0.243981
C -2.045879 2.128105 1.108780
C -3.532353 1.897644 0.715890
C -3.610866 0.379411 0.427216
C 1.622822 0.669917 -0.046020
C 3.964811 0.072011 -0.596805
C 2.850837 -1.008146 1.391571
C 4.898491 1.203633 -0.122926
C 2.419529 -2.436114 0.997389
H -0.781916 1.557799 -0.660759
H -1.699798 3.157955 0.926285
H -1.898467 1.908683 2.181428
H -4.227386 2.206207 1.513970
H -3.783602 2.464571 -0.198098
H -3.801258 -0.220137 1.338387
H -4.357670 0.087141 -0.329474
H 3.636162 0.259410 -1.632819
H 4.480855 -0.905273 -0.564277
H 2.245698 -0.642307 2.238985
H 3.904824 -0.996234 1.724917
H 5.233391 1.045116 0.918496
H 4.379628 2.175054 -0.184279
H 5.794198 1.247214 -0.768690
H 3.033627 -2.823831 0.164908
H 1.361966 -2.448942 0.685083
H 2.539103 -3.118368 1.858654


