%chk=000019220.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000019220

0 1
 O   -4.446700       1.077700     -0.1631000    
 N  -0.7919000     -0.7211000      6.2399998E-02
 C  -0.9433000      0.7151000      0.3429000    
 C   -2.014800      -1.450700      0.4312000    
 C   -2.080900       1.324000     -0.4712000    
 C   -3.215400     -0.9692000     -0.3778000    
 C   0.3595000      -1.261400      0.7861000    
 C   -3.351600      0.5313000     -0.2792000    
 C    1.596000     -0.5432000      0.3507000    
 C    2.336400      -1.026200     -0.7263000    
 C    2.004000      0.6070000       1.022800    
 C    3.490200     -0.3561000      -1.132900    
 C    3.157800       1.277200      0.6161000    
 C    3.900800      0.7956000     -0.4617000    
 H  -7.8299999E-02   1.301800      3.0099999E-02
 H   -1.116400      0.8920000       1.412800    
 H   -2.222900      -1.335100       1.503400    
 H   -1.883800      -2.522600      0.2387000    
 H   -1.842900       1.326100      -1.541000    
 H   -2.253900       2.358100     -0.1545000    
 H   -4.130100      -1.437600      1.9999999E-04
 H   -3.105600      -1.230800      -1.436100    
 H   0.4735000      -2.332800      0.5750000    
 H   0.2342000      -1.177100       1.874300    
 H    2.026300      -1.921300      -1.258900    
 H    1.451300      0.9849000       1.879000    
 H    4.068700     -0.7308000      -1.972200    
 H    3.480500       2.171200       1.141800    
 H    4.799800       1.316800     -0.7776000    


%chk=000019220-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000019220

0 1
O -4.661825 0.680162 -0.680780
N -0.843968 -0.586752 0.258096
C -1.184686 0.856190 0.252345
C -2.022738 -1.414903 0.602338
C -2.263880 1.158812 -0.817170
C -3.146458 -1.228581 -0.448826
C 0.339335 -0.895489 1.098510
C -3.478515 0.248508 -0.654125
C 1.638127 -0.326415 0.534197
C 1.899433 -0.372133 -0.858788
C 2.622781 0.212666 1.397935
C 3.122492 0.108382 -1.375737
C 3.850698 0.690437 0.883981
C 4.104597 0.639386 -0.505675
H -0.271298 1.434286 0.030088
H -1.555982 1.188730 1.255875
H -2.426851 -1.159212 1.615760
H -1.715879 -2.476670 0.628686
H -1.822726 0.968719 -1.815928
H -2.587373 2.212664 -0.771843
H -4.061417 -1.772043 -0.157106
H -2.786988 -1.635530 -1.414905
H 0.419600 -2.000395 1.147918
H 0.210727 -0.540478 2.152674
H 1.126554 -0.775665 -1.522539
H 2.427903 0.261419 2.476955
H 3.312004 0.068884 -2.454668
H 4.602915 1.105666 1.564362
H 5.053918 1.012155 -0.906631


