%chk=000021634.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000021634

0 1
 O   0.5338000      0.3483000      0.7515000    
 N   -2.998200     -7.6200001E-02 -0.2131000    
 C   -1.800200      0.5949000      0.2902000    
 C   -4.131500      0.8478000     -0.2328000    
 C   -3.308700      -1.248600      0.6041000    
 C  -0.6085000     -0.3489000      0.2719000    
 C   -3.826400       2.072800      -1.078000    
 C   -4.515400      -1.993700      5.9300002E-02
 C    1.746900     -1.8999999E-02  0.3013000    
 C    2.797400      0.9062000      0.1929000    
 C    1.980100      -1.352100     -7.0799999E-02
 C    4.049300      0.5076000     -0.2757000    
 C    2.582900       2.332100      0.5803000    
 C    3.232000      -1.750500     -0.5392000    
 C    4.266500     -0.8207000     -0.6417000    
 H   -1.947200      0.9903000       1.304400    
 H   -1.516100       1.448400     -0.3354000    
 H   -5.004000      0.3775000     -0.6981000    
 H   -4.423100       1.161500      0.7774000    
 H   -2.501300      -1.984500      0.5675000    
 H   -3.475100     -0.9866000       1.656500    
 H  -0.4608000     -0.7074000     -0.7557000    
 H  -0.7394000      -1.199100      0.9458000    
 H   -3.158200       2.776300     -0.5717000    
 H   -3.394600       1.802400      -2.047800    
 H   -4.755400       2.619000      -1.278000    
 H   -5.456600      -1.476800      0.2700000    
 H   -4.435600      -2.162900      -1.020100    
 H   -4.587300      -2.976800      0.5385000    
 H    1.211900      -2.115500      1.6899999E-02
 H    4.866200       1.219300     -0.3612000    
 H    1.785100       2.774800     -2.5300000E-02
 H    2.311000       2.401600       1.638700    
 H    3.483700       2.937000      0.4305000    
 H    3.403600      -2.785900     -0.8187000    
 H    5.241700      -1.131500      -1.005200    


%chk=000021634-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000021634

0 1
O 0.566233 0.612378 0.334693
N -3.113801 0.034176 0.068035
C -1.843954 0.721976 0.409611
C -4.205957 0.964146 -0.323560
C -3.521895 -0.958378 1.100079
C -0.650136 -0.080811 -0.124657
C -4.008220 1.559775 -1.730444
C -4.407262 -2.087045 0.538456
C 1.812414 0.080288 -0.045452
C 2.946656 0.807686 0.424330
C 1.963384 -1.085996 -0.833307
C 4.227952 0.324809 0.077437
C 2.754869 2.054362 1.263426
C 3.261084 -1.542370 -1.162671
C 4.397482 -0.840696 -0.709637
H -1.722363 0.873884 1.507109
H -1.825818 1.724076 -0.053164
H -5.151878 0.393032 -0.314608
H -4.327756 1.789608 0.423100
H -2.600420 -1.408682 1.515127
H -4.041153 -0.461101 1.958694
H -0.682553 -0.117553 -1.231066
H -0.662854 -1.119309 0.265542
H -3.076724 2.150777 -1.800614
H -3.955818 0.752196 -2.481191
H -4.849032 2.230818 -1.987861
H -5.362093 -1.703053 0.136203
H -3.881634 -2.611746 -0.278355
H -4.650180 -2.817581 1.332621
H 1.089858 -1.638123 -1.192217
H 5.108397 0.874556 0.431815
H 2.168004 2.815800 0.717101
H 2.188008 1.831242 2.186143
H 3.726714 2.494722 1.544888
H 3.375512 -2.445236 -1.773079
H 5.403434 -1.191528 -0.963330


