%chk=000127057.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000127057

0 1
 O    1.215100      -2.492600      0.9533000    
 N   -3.251800     -0.1894000      4.1600000E-02
 N    2.657400      0.5359000       2.006000    
 N    2.600600       1.378800      -1.282600    
 N    2.905700      0.4388000     -0.3753000    
 N    2.052900       2.317100      0.6134000    
 N    1.722400       3.557000      -1.431400    
 C   -2.481800       1.034200     -0.2225000    
 C   -4.682200      0.1073000      0.2021000    
 C   -2.644700       2.044600      0.9141000    
 C   -4.917000       1.087300       1.352700    
 C   -4.113500       2.368700       1.162100    
 C   -3.048400      -1.163200      -1.030600    
 C   -1.600600      -1.553200      -1.166900    
 C  -0.8612000      -1.843800     -2.8999999E-02
 C   -1.026400      -1.616700      -2.428700    
 C   0.4799000      -2.205500     -0.1555000    
 C   0.3148000      -1.978300      -2.555100    
 C    1.068000      -2.272700      -1.418500    
 C   0.8562000      -1.823900       2.161500    
 C    2.110500      -1.628100       3.004900    
 C    3.168100     -0.7801000       2.308000    
 C    2.555000       1.058000      0.7489000    
 C    2.094200       2.491800     -0.6871000    
 C    2.826700       1.128000      -2.685600    
 H   -1.407500      0.8407000     -0.3093000    
 H   -2.800500       1.496100      -1.166900    
 H   -5.102600      0.5211000     -0.7241000    
 H   -5.230400     -0.8163000      0.4243000    
 H   -2.198400       1.640200       1.831700    
 H   -2.100000       2.964600      0.6727000    
 H   -5.984000       1.327100       1.423100    
 H   -4.631900      0.6150000       2.301400    
 H   -4.514200       2.928400      0.3080000    
 H   -4.213600       3.010600       2.044000    
 H   -3.429600     -0.7694000      -1.982600    
 H   -3.612000      -2.081000     -0.8170000    
 H   -1.350400      -1.831800      0.9405000    
 H   -1.602100      -1.390200      -3.321500    
 H   0.7735000      -2.029200      -3.538200    
 H    2.112700      -2.552700      -1.523200    
 H   0.3938000     -0.8454000       1.981500    
 H   0.1455000      -2.451900       2.711100    
 H    1.830400      -1.165200       3.958700    
 H    2.551400      -2.606400       3.231900    
 H    3.540700      -1.298400       1.416800    
 H    4.029100     -0.6702000       2.977500    
 H    2.365100       1.091300       2.806100    
 H    1.865800       1.174800      -3.203900    
 H    3.267800      0.1359000      -2.813000    
 H    3.512100       1.888200      -3.068000    
 H    1.798700       3.580700      -2.443400    
 H    1.341900       4.394000      -1.001300    


%chk=000127057-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000127057

0 1
O 1.433554 -2.558184 0.860651
N -3.029072 -0.089715 -0.291216
N 2.971304 0.621127 2.334445
N 1.829225 1.683517 -0.806409
N 2.351002 0.622321 -0.002895
N 2.144539 2.608238 1.222703
N 1.243959 4.040347 -0.523425
C -2.263352 1.105513 -0.727688
C -4.436207 0.249902 0.035387
C -2.263498 2.195054 0.363025
C -4.505435 1.314878 1.149083
C -3.709226 2.579123 0.750706
C -2.931138 -1.210210 -1.255470
C -1.534539 -1.824946 -1.332717
C -0.727648 -1.884526 -0.170384
C -1.057531 -2.372694 -2.546362
C 0.555306 -2.478084 -0.227191
C 0.217709 -2.989935 -2.588525
C 1.028590 -3.044015 -1.438821
C 1.070410 -1.833202 2.094172
C 2.337133 -1.748627 2.948940
C 3.396508 -0.783642 2.354188
C 2.499667 1.253943 1.200546
C 1.734964 2.833032 -0.054948
C 1.490596 1.422909 -2.198440
H -1.228380 0.790471 -0.948725
H -2.697877 1.528425 -1.674654
H -4.980712 0.634500 -0.869367
H -4.951585 -0.674467 0.359649
H -1.730083 1.806782 1.252278
H -1.700493 3.077170 0.002036
H -5.564618 1.565939 1.352198
H -4.077268 0.886995 2.076408
H -4.205431 3.067697 -0.114267
H -3.709119 3.312768 1.579196
H -3.250633 -0.907167 -2.286766
H -3.648531 -1.988484 -0.922896
H -1.127105 -1.440959 0.746566
H -1.676831 -2.322207 -3.450185
H 0.586118 -3.419875 -3.527182
H 2.025401 -3.495017 -1.457035
H 0.710382 -0.818082 1.839081
H 0.262678 -2.385840 2.616548
H 2.056129 -1.411094 3.966457
H 2.777761 -2.760342 3.044374
H 3.614218 -1.086062 1.315573
H 4.334569 -0.870911 2.936198
H 3.050778 1.199158 3.168836
H 0.667285 2.087328 -2.517780
H 1.150481 0.378325 -2.281799
H 2.358274 1.565861 -2.870376
H 1.249300 4.263990 -1.514140
H 1.209668 4.803574 0.147119


