%chk=000027689.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000027689

0 1
 O   0.9153000       1.621500      1.9200001E-02
 O    2.405000     -0.2920000      -1.259300    
 O   0.2499000     -0.3621000      0.9424000    
 N    3.630300     -0.5812000      0.6903000    
 N   -1.246100       1.038600     -0.1891000    
 C    2.238000       1.385300      0.4719000    
 C    2.755600      9.4400004E-02 -0.1463000    
 C    3.098700       2.571300      6.6399999E-02
 C    4.233700      -1.841700      0.3268000    
 C   -2.474900      0.3447000     -0.1095000    
 C    3.786000      -2.295300      -1.047300    
 C  -1.9300001E-02  0.6571000      0.3186000    
 C   -3.606200      0.8982000     -0.6880000    
 C   -2.524900     -0.8759000      0.5450000    
 C   -4.818900      0.2136000     -0.6098000    
 C   -3.737600      -1.560600      0.6230000    
 C   -4.884600      -1.015800      4.5600001E-02
 H    2.227700       1.311500       1.566400    
 H    2.700500       3.499300      0.4901000    
 H    3.105600       2.695300      -1.022600    
 H    4.133200       2.445100      0.4006000    
 H    5.319600      -1.710500      0.3603000    
 H    3.954400      -2.574400       1.090200    
 H    3.869000     -0.1849000       1.594400    
 H    2.714100      -2.512800      -1.101100    
 H    4.114700      -1.627100      -1.850100    
 H    4.278400      -3.253400      -1.259700    
 H   -1.270700       1.928300     -0.6816000    
 H   -3.566000       1.855100      -1.200900    
 H   -1.681300      -1.360200       1.014900    
 H   -5.712000      0.6376000      -1.059300    
 H   -3.790300      -2.518200       1.133000    
 H   -5.828800      -1.549000      0.1064000    


%chk=000027689-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000027689

0 1
O 0.917994 1.572955 -0.429394
O 3.969596 0.734226 -1.650201
O 0.411657 -0.156597 1.095300
N 2.868151 -0.813563 -0.284221
N -1.228782 0.909369 -0.243870
C 2.355120 1.572992 0.027482
C 3.142844 0.462027 -0.726726
C 2.893694 2.965448 -0.267846
C 3.504099 -2.006662 -0.868411
C -2.429341 0.230474 0.113155
C 4.583122 -2.613360 0.054699
C 0.048308 0.687764 0.226011
C -3.618183 0.621919 -0.558597
C -2.475229 -0.793639 1.094885
C -4.842576 -0.005684 -0.253680
C -3.710169 -1.412317 1.386632
C -4.897093 -1.028786 0.721573
H 2.344609 1.347368 1.111103
H 2.272825 3.730406 0.228082
H 2.915262 3.145674 -1.354116
H 3.930216 3.047761 0.102056
H 2.720899 -2.757612 -1.086228
H 3.955916 -1.693683 -1.825250
H 2.147054 -0.920222 0.443708
H 5.387893 -1.880874 0.239379
H 4.156642 -2.915103 1.028840
H 5.029870 -3.508470 -0.416034
H -1.300961 1.649493 -0.946353
H -3.583379 1.413523 -1.318017
H -1.560343 -1.088741 1.612114
H -5.752449 0.304741 -0.778787
H -3.740901 -2.202354 2.145281
H -5.848267 -1.516671 0.958332


