%chk=000053268.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000053268

0 1
 O    4.301500      0.7527000      0.8652000    
 N    2.373900      0.3509000     -0.3780000    
 C    1.591700     -0.2679000      0.6589000    
 C   0.1209000     -0.1465000      0.3900000    
 C  -0.3950000      -1.356100     -0.1196000    
 C    1.765500      -1.798200      0.6843000    
 C   0.6878000      -2.383100     -0.2441000    
 C   -2.018400      0.8372000      0.2136000    
 C   -2.531700     -0.3705000     -0.3001000    
 C   -3.084800       1.887300      0.2595000    
 C   -3.982700     -0.2255000     -0.6398000    
 C  -0.6822000      0.9725000      0.5576000    
 C   -4.354600       1.028700      0.1645000    
 C   -1.726200      -1.483600     -0.4858000    
 C    3.669000      0.8110000     -0.1859000    
 C    4.265100       1.391100      -1.440400    
 H    1.861800      0.1580000       1.631600    
 H    1.576200      -2.159300       1.705400    
 H    2.771300      -2.130300      0.4059000    
 H   0.3668000      -3.372800      9.2399999E-02
 H    1.041600      -2.433700      -1.279000    
 H   -3.063200       2.466200       1.186900    
 H   -2.992900       2.554800     -0.6034000    
 H   -4.102300     -5.6200001E-02  -1.714800    
 H   -4.574800      -1.090000     -0.3270000    
 H  -0.2837000       1.907100      0.9339000    
 H   -5.195000       1.573700     -0.2767000    
 H   -4.660800      0.7282000       1.176400    
 H   -2.116600      -2.405600     -0.8997000    
 H    1.969100      0.4180000      -1.308200    
 H    5.170700       1.951600      -1.192500    
 H    4.518800      0.5816000      -2.130100    
 H    3.554800       2.070200      -1.920800    


%chk=000053268-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000053268

0 1
O 4.269057 0.672812 0.914458
N 2.416333 0.336197 -0.447479
C 1.628255 -0.353318 0.602851
C 0.133983 -0.202174 0.334922
C -0.416217 -1.422051 -0.140505
C 1.827619 -1.906834 0.621070
C 0.660363 -2.498387 -0.227177
C -2.038776 0.857780 0.174654
C -2.594769 -0.365773 -0.295374
C -3.117006 1.932688 0.248058
C -4.085192 -0.195198 -0.567385
C -0.666936 0.951757 0.488511
C -4.442631 1.109472 0.212347
C -1.789001 -1.512192 -0.463093
C 3.696972 0.808904 -0.211805
C 4.372453 1.508985 -1.389740
H 1.956836 0.090020 1.559386
H 1.738696 -2.256378 1.665914
H 2.828918 -2.188806 0.256474
H 0.318304 -3.476463 0.157062
H 0.967308 -2.659865 -1.280417
H -3.035426 2.570052 1.146976
H -3.051322 2.605292 -0.632068
H -4.264443 -0.063248 -1.654508
H -4.687850 -1.063623 -0.245212
H -0.233122 1.888948 0.857427
H -5.279454 1.665218 -0.245352
H -4.736338 0.846904 1.245782
H -2.220419 -2.454629 -0.821843
H 1.986234 0.461411 -1.365655
H 4.643356 2.536017 -1.089596
H 5.311655 0.982259 -1.632152
H 3.744160 1.555721 -2.296330


