%chk=000004946.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000004946

0 1
 O   0.3581000       1.455600      0.6931000    
 O    2.784100       2.102600       1.956300    
 N    3.001300     -0.4295000     -0.7358000    
 C    2.750600       1.640600      0.6030000    
 C    2.958300      0.1243000      0.6107000    
 C    3.255900      -1.863300     -0.7016000    
 C    1.425700       2.065400     -2.6400000E-02
 C    3.286700      -2.429100      -2.118600    
 C    2.184000      -2.549600      0.1392000    
 C  -0.7847000       1.188000     -5.7000001E-03
 C   -1.613700      0.1069000      0.3355000    
 C   -2.787100     -0.1304000     -0.4193000    
 C   -1.107600       2.022900      -1.075800    
 C   -1.304200     -0.7438000       1.409200    
 C   -3.097000      0.7205000      -1.492900    
 C   -2.261700       1.789800      -1.817800    
 C   -3.616300      -1.211200     -7.8299999E-02
 C   -2.139300      -1.813200       1.733800    
 C   -3.293200      -2.046500      0.9914000    
 H    3.580200       2.125000      7.4199997E-02
 H    2.155200     -0.3051000       1.218100    
 H    3.893900     -9.2799999E-02   1.143300    
 H    4.237200      -2.056200     -0.2494000    
 H    3.725900      3.8100000E-02  -1.279700    
 H    1.437600       1.775800      -1.084600    
 H    1.315400       3.153300      5.4099999E-02
 H    3.501900      -3.503000      -2.103600    
 H    2.327200      -2.285000      -2.628100    
 H    4.064600      -1.943800      -2.718500    
 H    2.319800      -2.385800       1.213000    
 H    2.229500      -3.635800     -4.8000002E-03
 H    1.174200      -2.232000     -0.1449000    
 H    2.687600       3.070100       1.938000    
 H  -0.5116000       2.888900      -1.347600    
 H  -0.4099000     -0.5899000       2.009200    
 H   -3.994800      0.5582000      -2.085600    
 H   -2.517700       2.444800      -2.645700    
 H   -4.523300      -1.412500     -0.6446000    
 H   -1.888200      -2.464200       2.566200    
 H   -3.942800      -2.879200       1.244600    


%chk=000004946-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000004946

0 1
O 0.335707 0.889797 0.418798
O 2.357100 1.992978 1.988859
N 3.688304 -0.376950 -0.637739
C 2.647073 1.490421 0.637917
C 3.177671 0.036485 0.687950
C 3.748323 -1.843360 -0.904840
C 1.418958 1.626572 -0.269239
C 4.680026 -2.084614 -2.109977
C 2.335918 -2.403650 -1.182465
C -0.930461 0.852531 -0.184174
C -1.933807 0.111261 0.542379
C -3.268130 0.033455 -0.013879
C -1.233076 1.475135 -1.401104
C -1.650676 -0.544589 1.783475
C -3.556819 0.683156 -1.261060
C -2.556809 1.383989 -1.933768
C -4.269637 -0.699679 0.705007
C -2.650197 -1.251384 2.458708
C -3.971216 -1.329063 1.915813
H 3.440300 2.158231 0.252803
H 2.344942 -0.631142 0.972072
H 3.937341 -0.018626 1.500281
H 4.172446 -2.390061 -0.025262
H 4.595394 0.066677 -0.839957
H 1.628567 1.166544 -1.253328
H 1.124691 2.688312 -0.377679
H 4.727493 -3.159540 -2.357958
H 4.304424 -1.538855 -2.995320
H 5.711077 -1.739528 -1.899601
H 1.639940 -2.201512 -0.348722
H 2.376729 -3.498944 -1.329226
H 1.917458 -1.937510 -2.092842
H 1.479587 1.613321 2.257228
H -0.472468 2.031310 -1.955074
H -0.637478 -0.486223 2.191372
H -4.569436 0.619433 -1.674696
H -2.776002 1.878105 -2.886592
H -5.280588 -0.758068 0.284298
H -2.423959 -1.750053 3.407595
H -4.746909 -1.885460 2.453548


