%chk=000039238.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000039238

0 1
 O  -0.1252000      6.1200000E-02   1.063200    
 N  -0.9992000      -1.517600     -0.3793000    
 N    1.225100      -1.025700     -0.5199000    
 C   -2.369100      -1.444600      0.1139000    
 C   -2.972000     -4.4799998E-02 -6.3800000E-02
 C   -2.345200      -1.827300       1.605200    
 C   -3.197300      -2.483000     -0.6654000    
 C   -3.912900      0.3822000      0.8417000    
 C   -2.545100      0.7226000      -1.120500    
 C   2.9999999E-02 -0.7430000      0.1473000    
 C   -4.460900       1.654800      0.6805000    
 C   -3.093000       1.995200      -1.281600    
 C   -4.051000       2.461200     -0.3810000    
 C    2.501100     -0.4590000     -0.2928000    
 C    3.573900     -0.8724000      -1.065800    
 C    2.651900      0.4980000      0.6975000    
 C    5.000500      0.6507000      0.1513000    
 C    4.832300     -0.3138000     -0.8420000    
 C    3.910400       1.056700      0.9211000    
 C    6.345800       1.248600      0.3902000    
 H   -1.721100      -2.716900       1.763900    
 H   -1.947200      -1.041000       2.255700    
 H   -3.340400      -2.094500       1.980100    
 H   -2.789400      -3.492700     -0.5378000    
 H   -3.200400      -2.265500      -1.740300    
 H   -4.241000      -2.497300     -0.3305000    
 H  -0.7866000      -2.147600      -1.147100    
 H   -4.280600     -0.2176000       1.665000    
 H   -1.819800      0.3770000      -1.849600    
 H   -5.211400       2.015900       1.377700    
 H   -2.778300       2.621300      -2.111500    
 H    1.181000      -1.721800      -1.259800    
 H   -4.479500       3.451000     -0.5081000    
 H    3.453700      -1.623200      -1.841800    
 H    1.859700      0.8633000       1.333900    
 H    5.674200     -0.6395000      -1.447100    
 H    4.030700       1.806300       1.699000    
 H    6.261600       2.281800      0.7442000    
 H    6.888900      0.6641000       1.139400    
 H    6.936900       1.273500     -0.5316000    


%chk=000039238-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000039238

0 1
O -0.109856 0.053451 1.112172
N -1.012816 -1.523082 -0.368807
N 1.241526 -0.933325 -0.560264
C -2.402130 -1.478825 0.174212
C -3.008649 -0.066720 -0.017680
C -2.402405 -1.950262 1.652269
C -3.226249 -2.482101 -0.684425
C -3.882137 0.511426 0.935257
C -2.760632 0.644249 -1.220129
C 0.031070 -0.743192 0.137596
C -4.489759 1.765208 0.694878
C -3.363391 1.896086 -1.463808
C -4.236261 2.463173 -0.506343
C 2.516689 -0.373031 -0.269057
C 3.600969 -0.742580 -1.110241
C 2.754180 0.528332 0.802665
C 5.150798 0.667205 0.186061
C 4.892444 -0.226855 -0.884217
C 4.056313 1.029079 1.011767
C 6.550078 1.196465 0.450566
H -1.907318 -2.935535 1.719992
H -1.852198 -1.234810 2.283403
H -3.431499 -2.064262 2.036415
H -2.832408 -3.511101 -0.573170
H -3.209962 -2.199376 -1.752838
H -4.277703 -2.480474 -0.353015
H -0.809035 -2.269685 -1.035453
H -4.081920 0.000209 1.881947
H -2.070330 0.221875 -1.959772
H -5.155439 2.198517 1.450235
H -3.149224 2.431893 -2.395779
H 1.215160 -1.529093 -1.390383
H -4.703867 3.436844 -0.691128
H 3.432824 -1.434121 -1.947282
H 1.922205 0.828248 1.441984
H 5.711368 -0.525177 -1.550349
H 4.221255 1.726712 1.842459
H 6.522481 2.204495 0.901331
H 7.102789 0.539942 1.151243
H 7.144140 1.256796 -0.478811


