%chk=000028381.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000028381

0 1
 O    1.089300     -0.9784000      1.3700000E-02
 O   -3.542900      -3.126700      0.8397000    
 N    4.759700      -1.259200      4.2300001E-02
 C   0.1529000     -9.9999997E-05 -0.3942000    
 C   -1.610800       1.799000      -1.164200    
 C   0.3254000      0.3182000      -1.909100    
 C  -0.7174000       1.384100      -2.363300    
 C   -1.297200     -0.4647000     -0.2324000    
 C   0.2967000       1.340400      0.3341000    
 C   -2.243500      0.5102000     -0.6502000    
 C  -0.6568000       2.306500     -8.8100001E-02
 C   -1.728400      -1.686000      0.2697000    
 C    1.219800       1.656800       1.322600    
 C   -3.606600      0.2613000     -0.5667000    
 C  -0.6797000       3.576700      0.4714000    
 C    2.429500     -0.5542000     -0.2122000    
 C   -3.101000      -1.933600      0.3504000    
 C   -4.031300     -0.9692000     -6.4099997E-02
 C    1.195000       2.936900       1.882100    
 C   0.2546000       3.888000       1.460100    
 C    3.374600      -1.643200      0.2699000    
 C    4.997400     -0.9952000      -1.378900    
 C    5.671800      -2.300300      0.5222000    
 C   -2.551000      -4.067300       1.245200    
 H   -2.357500       2.547000      -1.447400    
 H   0.2227000     -0.5922000      -2.514000    
 H    1.309400      0.7360000      -2.150300    
 H  -0.1957000       2.258600      -2.772800    
 H   -1.330600      0.9692000      -3.173200    
 H  -0.9711000      -2.396100      0.5784000    
 H    1.879400      0.9318000       1.784400    
 H   -4.332200       1.003400     -0.8830000    
 H   -1.407800       4.315900      0.1542000    
 H    2.552700     -0.5262000      -1.296700    
 H    2.748100      0.4150000      0.1553000    
 H   -5.096100      -1.177700      6.6000000E-03
 H    1.892300       3.190600       2.676400    
 H   0.2487000       4.874800       1.915400    
 H    3.199600      -1.797100       1.342600    
 H    3.125700      -2.595600     -0.2181000    
 H    4.545100     -5.1899999E-02  -1.701200    
 H    4.644400      -1.809500      -2.022300    
 H    6.070600     -0.8673000      -1.567400    
 H    5.516900      -2.483800       1.591300    
 H    6.714200      -1.982800      0.4078000    
 H    5.537000      -3.246800     -1.4000000E-02
 H   -1.928700      -4.386200      0.4021000    
 H   -3.078100      -4.956800       1.605800    
 H   -1.955000      -3.689300       2.083000    


%chk=000028381-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000028381

0 1
O 1.122728 -0.766804 -0.129408
O -3.339096 -3.300340 0.593296
N 4.790216 -1.485332 -0.248184
C 0.145585 0.256949 -0.492762
C -1.763570 1.988543 -1.017238
C 0.226392 0.708580 -2.005183
C -0.905526 1.742454 -2.315846
C -1.261669 -0.314280 -0.301756
C 0.229782 1.532955 0.359584
C -2.288087 0.621298 -0.585405
C -0.794985 2.472365 0.058359
C -1.549476 -1.633382 0.090325
C 1.168723 1.802768 1.371947
C -3.635748 0.221389 -0.475886
C -0.855212 3.697585 0.749022
C 2.501735 -0.565860 -0.610309
C -2.910493 -2.017649 0.203685
C -3.950093 -1.095826 -0.078680
C 1.102936 3.033498 2.071229
C 0.101312 3.980528 1.756209
C 3.386141 -1.503452 0.226116
C 5.008461 -2.326176 -1.443565
C 5.764671 -1.788226 0.819690
C -2.304683 -4.285323 0.910278
H -2.574784 2.711214 -1.209962
H 0.125261 -0.193037 -2.635673
H 1.217112 1.155515 -2.198908
H -0.474477 2.701412 -2.655064
H -1.566241 1.364573 -3.116069
H -0.721735 -2.314908 0.296799
H 1.924070 1.054976 1.633864
H -4.443226 0.930051 -0.693781
H -1.646035 4.421336 0.518317
H 2.564871 -0.815369 -1.688510
H 2.832688 0.481768 -0.475239
H -4.986521 -1.431717 0.022346
H 1.827134 3.248670 2.865125
H 0.055470 4.929507 2.302404
H 3.359037 -1.160195 1.276553
H 2.940831 -2.529073 0.210782
H 4.312183 -2.037348 -2.249363
H 4.866284 -3.418778 -1.241044
H 6.036998 -2.177708 -1.818316
H 5.634125 -1.080503 1.657215
H 6.790795 -1.665626 0.428083
H 5.675670 -2.828130 1.225819
H -1.661994 -4.493845 0.032271
H -2.851307 -5.196761 1.194550
H -1.672154 -3.949283 1.755182


