%chk=000135364.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000135364

0 1
 O   -3.981000     -0.8638000     -0.4856000    
 N    2.156700       2.134700      0.2625000    
 N   0.9259000      0.3616000     -7.8599997E-02
 N   0.9060000       2.619500      0.2876000    
 C    3.388600      -1.330800      0.3595000    
 C    3.367700      1.1300000E-02 -2.9500000E-02
 C    2.159100      -2.012500      0.8688000    
 C    2.159900      0.7922000      4.4700000E-02
 C    4.571200      -2.066000      0.2779000    
 C    4.537700      0.6127000     -0.5004000    
 C   0.1997000       1.507200      7.6700002E-02
 C   -1.234900       1.501900      1.4000000E-02
 C    1.353500      -2.662000     -0.2514000    
 C    5.737100      -1.461900     -0.1927000    
 C    5.720300     -0.1227000     -0.5819000    
 C   -1.919000      0.3069000     -0.2087000    
 C   -1.944300       2.692000      0.1762000    
 C   -3.312700      0.3021000     -0.2690000    
 C   -3.337700       2.687100      0.1160000    
 C   -4.022000       1.492100     -0.1065000    
 C   -5.283600     -0.9812000      8.4500000E-02
 C   -5.565900      -2.423800      0.3433000    
 C   -6.582400      -3.096700     -0.2073000    
 H    2.455600      -2.802100       1.573400    
 H    1.536000      -1.350700       1.478900    
 H    4.600300      -3.111300      0.5745000    
 H    4.558700       1.650500     -0.8239000    
 H    1.067700      -1.954400      -1.034400    
 H   0.4402000      -3.109300      0.1538000    
 H    1.930700      -3.460500     -0.7313000    
 H    2.931100       2.771800      0.4086000    
 H    6.657600      -2.034600     -0.2575000    
 H    6.627500      0.3465000     -0.9512000    
 H   -1.389300     -0.6342000     -0.3376000    
 H   -1.445600       3.642300      0.3499000    
 H   -3.889700       3.614800      0.2365000    
 H   -5.104900       1.537100     -0.1713000    
 H   -5.349500     -0.4634000       1.050300    
 H   -6.017800     -0.5520000     -0.6073000    
 H   -4.901800      -2.948900       1.025000    
 H   -6.735400      -4.145300      2.3100000E-02
 H   -7.274700      -2.619600     -0.8920000    


%chk=000135364-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000135364

0 1
O -4.030584 -0.938361 0.045734
N 2.210580 2.170304 0.066888
N 0.918732 0.362093 0.000405
N 0.919374 2.679780 0.123235
C 3.550851 -1.347101 0.411427
C 3.449712 -0.013306 -0.099719
C 2.389458 -2.101054 1.042862
C 2.212698 0.781003 -0.006318
C 4.803341 -2.005837 0.299529
C 4.586257 0.595298 -0.709828
C 0.162561 1.534892 0.075956
C -1.307911 1.551512 0.106018
C 1.588197 -2.923161 -0.003069
C 5.926425 -1.394298 -0.295170
C 5.816085 -0.081205 -0.808000
C -2.017197 0.330319 0.063157
C -2.016888 2.783693 0.179261
C -3.431257 0.332771 0.095135
C -3.422775 2.771221 0.208073
C -4.146552 1.554604 0.166625
C -5.505963 -0.997552 0.121571
C -5.894171 -2.451498 0.151077
C -6.837660 -3.000480 -0.651857
H 2.788499 -2.786649 1.815283
H 1.691578 -1.404406 1.537228
H 4.890619 -3.024475 0.696842
H 4.494970 1.595915 -1.150010
H 1.121187 -2.244999 -0.736713
H 0.784934 -3.496975 0.494274
H 2.241516 -3.635745 -0.539554
H 2.999161 2.809987 0.135148
H 6.876367 -1.935897 -0.362569
H 6.673075 0.402750 -1.288289
H -1.476297 -0.618220 0.004299
H -1.458631 3.723685 0.211680
H -3.973261 3.717054 0.262711
H -5.239950 1.575836 0.185340
H -5.835757 -0.485655 1.052255
H -5.958172 -0.478783 -0.747875
H -5.372109 -3.062409 0.899582
H -7.115666 -4.056520 -0.568070
H -7.358775 -2.411532 -1.416955


