%chk=000038212.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000038212

0 1
 S  -4.4799998E-02  -1.988500       1.623100    
 O  -0.8757000     -0.7594000     -0.6121000    
 O    1.691400      -2.294600      -1.072800    
 O  -0.1424000       1.230400       1.530400    
 O   -2.240500     -0.1616000       1.135800    
 N   -3.074000     -0.3629000      -1.019800    
 C   0.2222000     -0.8406000      0.2566000    
 C    2.426600     -0.1300000     -0.4227000    
 C    1.888900      0.9036000      0.3408000    
 C    1.474100      -1.240900     -0.5044000    
 C   0.5494000      0.5367000      0.8087000    
 C    3.687000     -4.0199999E-02 -0.9804000    
 C    2.589000       2.070200      0.5786000    
 C    4.409300       1.134100     -0.7514000    
 C    3.865700       2.179100      2.0600000E-02
 C   -2.087700     -0.4037000     -5.6899998E-02
 C  -0.2018000      -3.517600      0.6692000    
 C   -4.450400     -2.1199999E-02 -0.7440000    
 C   -4.625400       1.453800     -0.8898000    
 C   -5.060800       2.253500      9.0400003E-02
 H    4.108900     -0.8432000      -1.573800    
 H    2.174000       2.875700       1.173400    
 H    5.405000       1.244000      -1.173200    
 H    4.449100       3.081500      0.1841000    
 H  -0.7595000      -3.373000     -0.2593000    
 H  -0.7538000      -4.241400       1.276500    
 H   0.7786000      -3.953700      0.4649000    
 H   -2.813700     -0.5741000      -1.978600    
 H   -5.075200     -0.5464000      -1.473000    
 H   -4.715800     -0.3715000      0.2592000    
 H   -4.398500       1.895600      -1.857000    
 H   -5.174600       3.318500     -7.9400003E-02
 H   -5.308300       1.864700       1.071900    


%chk=000038212-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000038212

0 1
S 0.370322 -1.735128 1.599890
O -0.992790 -0.636927 -0.682087
O 1.422708 -1.984509 -1.621913
O -0.146723 1.742068 0.988937
O -2.527159 -0.451572 1.156926
N -3.191483 -0.339160 -1.095940
C 0.221454 -0.566648 0.068634
C 2.549198 -0.102225 -0.494583
C 2.090674 0.993907 0.284850
C 1.417500 -1.024599 -0.810076
C 0.628141 0.864637 0.545700
C 3.892749 -0.187278 -0.907671
C 2.964256 2.028611 0.673682
C 4.774236 0.847529 -0.515730
C 4.316467 1.942183 0.268510
C -2.289946 -0.448386 -0.065176
C -0.168905 -3.347167 0.787114
C -4.626055 -0.102195 -0.838273
C -4.999709 1.371345 -0.875745
C -5.512780 2.048774 0.179458
H 4.232655 -1.030161 -1.517227
H 2.595891 2.868866 1.270433
H 5.825237 0.811264 -0.822536
H 5.022546 2.728801 0.555429
H -1.252323 -3.321170 0.603515
H 0.077221 -4.137291 1.514135
H 0.386264 -3.499588 -0.151889
H -2.825609 -0.332322 -2.048548
H -5.204240 -0.665922 -1.595867
H -4.859514 -0.524377 0.153504
H -4.829153 1.891896 -1.830149
H -5.770446 3.111598 0.109605
H -5.674384 1.562047 1.148689


