%chk=000022082.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000022082

0 1
 S  -0.6740000       1.011000       1.981900    
 S  -0.5601000      -2.413900       2.671200    
 S   -1.979500       2.868200      7.9499997E-02
 P  -0.2954000     -0.9873000       1.351100    
 O    1.188300     -0.9964000      0.6670000    
 O   -1.215700      -1.190000      1.5100000E-02
 N   0.6201000       1.984100     -0.1959000    
 C   0.7324000       2.166900      -1.646400    
 C    1.909600       1.789900      0.4715000    
 C    1.632900      -2.130300     -5.8899999E-02
 C   -2.629000      -1.247200      0.1095000    
 C  -0.5988000       1.997400      0.5090000    
 C    3.036900      -1.861800     -0.5785000    
 C   -3.225800     -0.9415000      -1.255700    
 C   0.6920000      0.8410000      -2.377600    
 C    2.534300       3.112000      0.8671000    
 C    3.575100      -3.032100      -1.382000    
 C   -4.743400     -0.9701000      -1.227900    
 H    1.656800       2.706600      -1.879400    
 H  -9.2600003E-02   2.786200      -2.008900    
 H    2.585000       1.243400     -0.1946000    
 H    1.823900       1.206300       1.387200    
 H   0.9488000      -2.316100     -0.8929000    
 H    1.637200      -3.007900      0.5942000    
 H   -2.990100     -0.5310000      0.8535000    
 H   -2.917800      -2.253200      0.4304000    
 H    3.059100     -0.9565000      -1.189900    
 H    3.703300      -1.660100      0.2691000    
 H   -2.878400      3.8100000E-02  -1.602800    
 H   -2.853400      -1.667100      -1.988900    
 H    1.549200      0.2189000      -2.124400    
 H  -0.2163000      0.2809000      -2.136500    
 H   0.7106000       1.006100      -3.459500    
 H    2.711500       3.749300     -4.9000001E-03
 H    1.884700       3.663800       1.554700    
 H    3.494900       2.946500       1.365100    
 H    3.612100      -3.941800     -0.7743000    
 H    2.947300      -3.227900      -2.257100    
 H    4.589300      -2.817100      -1.732900    
 H   -5.111700      -1.954300     -0.9217000    
 H   -5.136700     -0.2232000     -0.5309000    
 H   -5.145100     -0.7513000      -2.222200    


%chk=000022082-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000022082

0 1
S -0.319951 1.159927 1.915574
S -0.644079 -2.362419 2.919325
S -1.959899 2.335915 -0.438540
P -0.299465 -1.071179 1.346545
O 1.222939 -1.162470 0.515483
O -1.327501 -1.232062 -0.040464
N 0.778508 2.310838 -0.355435
C 0.803604 3.030488 -1.663779
C 2.117425 2.019611 0.238775
C 1.642930 -2.502836 -0.001322
C -2.807104 -1.244783 0.173318
C -0.421610 1.984972 0.206065
C 3.065037 -2.336892 -0.539063
C -3.434503 -1.402729 -1.211935
C 0.777079 2.049727 -2.853462
C 2.607238 3.159433 1.153902
C 3.604910 -3.671267 -1.102732
C -4.977551 -1.416559 -1.121349
H 1.719985 3.648006 -1.680077
H -0.075133 3.697038 -1.701269
H 2.812477 1.876758 -0.609035
H 2.068863 1.066238 0.784179
H 0.937692 -2.811001 -0.795982
H 1.605279 -3.234905 0.829334
H -3.103071 -0.283680 0.635464
H -3.064065 -2.085371 0.847017
H 3.062494 -1.562008 -1.328667
H 3.717034 -1.973193 0.276709
H -3.096899 -0.562924 -1.846509
H -3.067610 -2.338573 -1.673485
H 1.640136 1.360308 -2.826022
H -0.150450 1.453327 -2.834008
H 0.811935 2.611898 -3.804085
H 2.632183 4.128203 0.622262
H 1.947143 3.259838 2.032695
H 3.628832 2.938655 1.513041
H 3.632211 -4.454569 -0.322668
H 2.975993 -4.041520 -1.933562
H 4.631901 -3.544261 -1.488166
H -5.339592 -2.256779 -0.499626
H -5.359232 -0.477228 -0.680490
H -5.424613 -1.523476 -2.125553


