%chk=000042637.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000042637

0 1
 S    2.663600       1.575000      0.8835000    
 S   -3.724000       1.522400     -7.2700001E-02
 O    2.899300       1.694300       2.318400    
 O    3.237300       2.561700     -2.3499999E-02
 O  -8.7499999E-02   1.492900      -2.823100    
 O   -4.351600     -0.3054000       2.213300    
 N   0.9458000       1.515400      -1.902100    
 N   -1.327400       1.496700      -2.207400    
 N   -4.274000     -0.9142000       1.094200    
 C   0.9499000       1.559800      0.5809000    
 C    3.331900     -9.1000004E-03  0.4441000    
 C   0.3622000       1.533500     -0.6973000    
 C   -1.082700       1.521700     -0.8912000    
 C   2.8300000E-02   1.573400       1.643700    
 C   -1.987000       1.535700      0.1866000    
 C   -1.378800       1.561900       1.454700    
 C    3.779000     -0.2121000     -0.8464000    
 C    3.388800      -1.000200       1.403700    
 C    4.372200      -2.473900     -0.2390000    
 C    4.304600      -1.457300      -1.191600    
 C    3.914300      -2.245400       1.058700    
 C    4.935300      -3.804800     -0.6073000    
 C   -3.989600     -0.2321000     -8.1500001E-02
 C   -3.911100     -0.9258000      -1.292300    
 C   -4.478100      -2.280000       1.055400    
 C   -4.117900      -2.300700      -1.319800    
 C   -4.402800      -2.983300     -0.1423000    
 H   0.3858000       1.592300       2.672200    
 H   -2.004700       1.576100       2.347000    
 H    3.735200      0.5657000      -1.601800    
 H    3.028200     -0.8462000       2.415900    
 H    4.656600      -1.623700      -2.206200    
 H    3.958200      -3.030900       1.808500    
 H    4.139400      -4.461200     -0.9730000    
 H    5.697800      -3.709100      -1.387800    
 H    5.416500      -4.282100      0.2532000    
 H   -3.694900     -0.4095000      -2.224100    
 H   -4.694400      -2.738600       2.009300    
 H   -4.058300      -2.840900      -2.260100    
 H   -4.565600      -4.056200     -0.1564000    


%chk=000042637-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000042637

0 1
S 2.797718 1.788934 0.515853
S -3.771428 1.199872 0.914195
O 3.141472 2.363850 2.012206
O 3.133301 2.639576 -0.834186
O -0.606801 0.180803 -2.448193
O -2.549719 -1.530212 1.084609
N 0.615882 0.559819 -1.776110
N -1.769074 0.375081 -1.618679
N -3.596368 -1.489579 0.258959
C 0.921274 1.480537 0.564372
C 3.577103 0.074233 0.368167
C 0.192217 0.977523 -0.552455
C -1.262836 0.854546 -0.452813
C 0.244724 1.844421 1.715421
C -1.949641 1.214379 0.756721
C -1.186039 1.703543 1.814345
C 3.732563 -0.478053 -0.912857
C 4.031242 -0.540624 1.544671
C 4.823367 -2.419004 0.154563
C 4.361195 -1.739454 -1.004213
C 4.656737 -1.800908 1.422820
C 5.471764 -3.786467 0.040930
C -4.260658 -0.281591 -0.012253
C -5.341614 -0.243137 -0.907429
C -4.035571 -2.649560 -0.375575
C -5.799384 -1.421854 -1.532204
C -5.123142 -2.634272 -1.252575
H 0.825135 2.240496 2.557414
H -1.677078 1.971156 2.754684
H 3.386388 0.059694 -1.801006
H 3.919186 -0.038086 2.511017
H 4.497435 -2.198018 -1.990148
H 5.025883 -2.306035 2.322676
H 4.709997 -4.587813 0.101080
H 5.998458 -3.906983 -0.921495
H 6.196965 -3.961410 0.854323
H -5.805554 0.724881 -1.114406
H -3.456849 -3.537681 -0.118858
H -6.641742 -1.391505 -2.227386
H -5.426711 -3.575300 -1.719785


