%chk=000051857.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000051857

0 1
 O   -1.951300       1.532500     -0.9932000    
 O   -3.063000      -1.242300      -1.208600    
 N  -0.3439000      0.8074000      0.5169000    
 C    2.056000     -0.6599000     -0.4346000    
 C    2.088200      0.7544000      0.1611000    
 C    3.375100      -1.433000     -0.2456000    
 C   0.7732000       1.516700     -6.1299998E-02
 C   0.8564000       2.922500      0.5256000    
 C    4.524200     -0.6672000     -0.9059000    
 C    3.700500      -1.681400       1.228000    
 C   -1.624800      0.8774000     -5.1000002E-03
 C   -2.629100      5.6800000E-02  0.7766000    
 C   -3.345700      -1.001600     -3.5799999E-02
 C   -4.415600      -1.782300      0.6818000    
 H    2.287900      0.6979000       1.237600    
 H    2.896700       1.339800     -0.2894000    
 H    1.245700      -1.242600      2.0099999E-02
 H    1.829300     -0.5939000      -1.506400    
 H    3.269100      -2.403900     -0.7454000    
 H   0.5982000       1.608400      -1.140600    
 H  -6.7000002E-02   3.481400      0.3384000    
 H    1.007200       2.891500       1.610600    
 H    1.684800       3.484000      8.1400000E-02
 H    4.796200      0.2395000     -0.3567000    
 H    4.275700     -0.3905000      -1.935900    
 H    5.419900      -1.297700     -0.9428000    
 H    2.862400      -2.172500       1.733200    
 H    3.930100     -0.7559000       1.765000    
 H    4.573700      -2.336800       1.318400    
 H  -0.1841000      0.2942000       1.378900    
 H   -2.147800     -0.4446000       1.622800    
 H   -3.375700      0.7531000       1.174400    
 H   -4.881100      -2.491100     -8.6000003E-03
 H   -3.970200      -2.335800       1.512100    
 H   -5.182600      -1.097700       1.052400    


%chk=000051857-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000051857

0 1
O -1.998615 2.125313 -0.813747
O -1.476735 -1.396808 1.585901
N -0.461659 0.959832 0.503205
C 1.934807 -0.491367 -0.732292
C 1.981673 0.774724 0.155096
C 3.138742 -1.464100 -0.573076
C 0.735435 1.679841 0.006457
C 0.900206 3.029192 0.743430
C 4.485835 -0.805238 -0.958138
C 3.208810 -2.083722 0.844601
C -1.725177 1.233797 0.049669
C -2.870534 0.405564 0.692127
C -2.576713 -1.048720 1.061640
C -3.671189 -2.061203 0.779021
H 2.094335 0.495796 1.223188
H 2.868662 1.383456 -0.103971
H 1.002333 -1.051686 -0.517842
H 1.870710 -0.172999 -1.793794
H 2.960556 -2.295858 -1.287886
H 0.555756 1.892310 -1.065960
H -0.013133 3.638166 0.632133
H 1.092186 2.869038 1.820712
H 1.748130 3.598707 0.320256
H 4.761905 -0.005714 -0.245110
H 4.439819 -0.358451 -1.969418
H 5.303484 -1.550073 -0.952248
H 2.242016 -2.538767 1.131260
H 3.465349 -1.323218 1.606158
H 3.984193 -2.871090 0.891189
H -0.357626 0.176467 1.165052
H -3.159296 0.930399 1.627611
H -3.735532 0.473889 0.012937
H -3.405702 -3.044395 1.196442
H -4.636351 -1.721282 1.199368
H -3.818081 -2.155003 -0.314573


