%chk=000050666.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000050666

0 1
 O   -1.120600      0.2660000     -0.2007000    
 O  -0.2001000      -1.449700       1.027300    
 N   -4.076300      -1.287800     -0.8528000    
 C   -3.466400      0.8860000     -0.2718000    
 C   -2.401900     -3.0900000E-02  0.3449000    
 C   -3.933300      4.9400002E-02  -1.459400    
 C   -4.656900       1.087800      0.6814000    
 C   -2.833100      -1.447700     -6.2500000E-02
 C   -5.273000      -1.288900      1.6400000E-02
 C   -5.244000     -0.2485000       1.144600    
 C  -8.8200003E-02 -0.5287000      0.2281000    
 C    1.203400     -0.1349000     -0.4818000    
 C    1.600000       1.321000     -0.2760000    
 C    2.356500      -1.086700     -0.1901000    
 C    2.304200       1.966500      -1.271200    
 C    3.176700     -0.8277000      0.8883000    
 C    1.242400       1.949100      0.8990000    
 C    2.543900      -2.177500      -1.013100    
 C    2.667300       3.300000      -1.082900    
 C    4.232400      -1.699100       1.155600    
 C    1.605400       3.282700       1.087100    
 C    3.599700      -3.049000     -0.7455000    
 C    2.318000       3.958200      9.6100003E-02
 C    4.443900      -2.809800      0.3388000    
 H   -3.059300       1.849500     -0.5948000    
 H   -2.355300      9.7000003E-02   1.433200    
 H   -4.861100      0.4133000      -1.915200    
 H   -3.171400      2.0700000E-02  -2.248500    
 H   -5.435300       1.663800      0.1654000    
 H   -4.351200       1.677200       1.553500    
 H   -2.095800      -1.938300     -0.7084000    
 H   -2.982600      -2.099800      0.8058000    
 H   -5.409600      -2.288500      0.4468000    
 H   -6.157800      -1.116000     -0.6100000    
 H   -4.643100     -0.6347000       1.977500    
 H   -6.253700     -9.6000001E-02   1.542500    
 H   0.9609000     -0.2430000      -1.551400    
 H    2.581000       1.461400      -2.191700    
 H    3.030600      1.0200000E-02   1.559700    
 H   0.7026000       1.443600       1.693300    
 H    1.890400      -2.373700      -1.857600    
 H    3.222500       3.825700      -1.854300    
 H    4.886700      -1.516400       2.003100    
 H    1.336900       3.794400       2.006700    
 H    3.763800      -3.914500      -1.380800    
 H    2.601600       4.996200      0.2431000    
 H    5.264900      -3.489200      0.5480000    


%chk=000050666-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000050666

0 1
O -1.243866 0.341403 -0.440641
O -0.221455 0.350170 1.651764
N -3.807843 -2.038266 -0.180299
C -3.659525 0.251852 -0.845279
C -2.559082 0.051700 0.224344
C -3.788012 -1.191404 -1.419764
C -5.012311 0.633547 -0.178998
C -2.660204 -1.475623 0.602804
C -5.116888 -1.841102 0.527899
C -5.384957 -0.365994 0.952343
C -0.139173 0.443353 0.404243
C 1.139672 0.636844 -0.421280
C 1.939828 1.887489 -0.028414
C 1.963259 -0.666281 -0.340105
C 2.679832 2.546844 -1.044076
C 2.763575 -0.966618 0.789731
C 2.001488 2.390060 1.296216
C 1.891780 -1.600837 -1.402927
C 3.466068 3.681171 -0.747795
C 3.483472 -2.179841 0.850731
C 2.784768 3.529508 1.591584
C 2.613108 -2.814781 -1.343247
C 3.520950 4.178612 0.575072
C 3.411927 -3.107925 -0.214675
H -3.354518 1.006248 -1.590292
H -2.642940 0.720416 1.097780
H -4.699847 -1.353365 -2.018803
H -2.905608 -1.461866 -2.028192
H -5.797272 0.627728 -0.961501
H -4.970398 1.662606 0.226493
H -1.727327 -1.980937 0.292648
H -2.798333 -1.635803 1.684097
H -5.140578 -2.504912 1.411458
H -5.907241 -2.189569 -0.163780
H -4.787273 -0.134213 1.856586
H -6.445999 -0.242881 1.242599
H 0.809797 0.753770 -1.467876
H 2.643330 2.165185 -2.072126
H 2.825296 -0.251333 1.616085
H 1.428107 1.896933 2.087880
H 1.268439 -1.378760 -2.278020
H 4.030390 4.176823 -1.545874
H 4.100684 -2.401547 1.728706
H 2.818814 3.909246 2.619174
H 2.551521 -3.527665 -2.173225
H 4.127665 5.060864 0.808251
H 3.972581 -4.048147 -0.165599


