%chk=000023596.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000023596

0 1
 O   -1.876600      0.7482000     -0.4751000    
 N  -8.4299996E-02   3.659900      2.6400000E-02
 C  -0.1656000     -0.8675000     -6.2600002E-02
 C    2.153800     -0.2444000     -0.3245000    
 C   -1.184800      -1.905600      0.2742000    
 C  -0.5531000      0.4226000     -0.4247000    
 C   0.4128000       1.379200     -0.7366000    
 C    3.601100     -0.6003000     -0.2706000    
 C    1.187900      -1.201000     -1.2500000E-02
 C    1.766300       1.045800     -0.6867000    
 C   -1.627400      -2.704600     -0.9587000    
 C    4.212200     -0.3422000       1.113800    
 C   1.7400000E-02   2.765400      -1.127000    
 C   -2.639700      -3.781900     -0.6028000    
 C    5.678700     -0.7392000       1.170900    
 C   -2.463300       1.256900      0.7204000    
 C   -3.918700      0.9257000      0.7191000    
 C   -4.516800      0.1830000       1.657100    
 H   -2.055800      -1.466700      0.7688000    
 H  -0.7637000      -2.595400       1.018300    
 H    4.152000     -3.1500001E-02  -1.031100    
 H    3.731800      -1.655800     -0.5429000    
 H    1.491600      -2.206600      0.2693000    
 H    2.520700       1.791700     -0.9264000    
 H  -0.7579000      -3.174900      -1.434200    
 H   -2.068900      -2.030600      -1.702900    
 H    4.117100      0.7195000       1.372700    
 H    3.660800     -0.9042000       1.877600    
 H   0.7411000       3.182000      -1.838200    
 H  -0.9386000       2.761100      -1.662800    
 H   -2.937900      -4.333600      -1.499800    
 H   -3.538700      -3.342400     -0.1590000    
 H   -2.217100      -4.496000      0.1112000    
 H    5.804600      -1.805100      0.9557000    
 H    6.267000     -0.1696000      0.4444000    
 H    6.086500     -0.5431000       2.167500    
 H   -2.388200       2.346100      0.7230000    
 H   -1.958700      0.8711000       1.614800    
 H   0.8466000       3.824900      0.4088000    
 H  -0.6165000       3.228000      0.7768000    
 H   -4.520400       1.318100     -9.6600004E-02
 H   -5.580200     -2.2100000E-02   1.600000    
 H   -3.962000     -0.2321000       2.491300    


%chk=000023596-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000023596

0 1
O -1.959900 0.486871 -0.377718
N 0.081007 3.758278 -0.044397
C -0.093269 -1.044317 0.028979
C 2.235793 -0.273111 -0.322132
C -1.079274 -2.165878 0.313157
C -0.548133 0.258880 -0.317551
C 0.351833 1.296023 -0.676910
C 3.731222 -0.550579 -0.283524
C 1.301275 -1.281809 0.025038
C 1.738590 1.002060 -0.678740
C -1.664251 -2.780873 -0.989975
C 4.351584 -0.316141 1.123407
C -0.136888 2.696478 -1.061999
C -2.685045 -3.900983 -0.700605
C 5.868166 -0.600588 1.153189
C -2.537565 1.039352 0.877702
C -4.025673 1.154205 0.684754
C -4.946620 0.691981 1.565255
H -1.927299 -1.796145 0.920640
H -0.580072 -2.963439 0.897866
H 4.257966 0.097125 -1.012070
H 3.932885 -1.598002 -0.584098
H 1.666219 -2.284705 0.284295
H 2.445666 1.787153 -0.982395
H -0.834395 -3.174496 -1.609446
H -2.145272 -1.972273 -1.570904
H 4.156532 0.729274 1.434146
H 3.831785 -0.961271 1.858956
H 0.382635 3.019096 -1.983462
H -1.213902 2.659077 -1.296689
H -3.083347 -4.331306 -1.637784
H -3.541280 -3.512571 -0.117441
H -2.225932 -4.723694 -0.119380
H 6.081237 -1.647803 0.866207
H 6.410022 0.056543 0.446784
H 6.289563 -0.433523 2.161328
H -2.088012 2.039596 1.064412
H -2.287236 0.384168 1.736471
H 1.073207 3.916674 0.167110
H -0.453224 3.611386 0.819907
H -4.340315 1.666037 -0.235005
H -6.019956 0.829637 1.395605
H -4.655225 0.166413 2.483414


