%chk=000091471.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000091471

0 1
 O   -2.625000       1.725100       1.666800    
 N    1.181800     -0.5257000      0.4919000    
 N   -1.478800      0.6385000     -4.1299999E-02
 C   0.7283000       1.517200     -0.8948000    
 C  -6.7000002E-02 -0.6871000      -1.667600    
 C    1.651800      0.8319000      0.1522000    
 C   0.5409000      0.6382000      -2.132400    
 C   -1.481200     -0.4161000      -1.078100    
 C   0.9230000      -1.358300     -0.6882000    
 C  -0.6592000       1.827500     -0.3056000    
 C    3.129100      0.8513000     -0.2950000    
 C   -2.166900      -1.705500     -0.6215000    
 C    2.051700      -1.182700       1.472400    
 C    4.032200      0.1873000      0.7403000    
 C    3.528300      -1.210700       1.077300    
 C   -3.518600      -1.367000     -2.3200000E-02
 C   -2.463600      0.7351000      0.9473000    
 C   -3.306600     -0.4991000       1.199700    
 H    1.183900       2.468600      -1.197400    
 H  -0.1786000      -1.345500      -2.538900    
 H    1.592300       1.434400       1.070000    
 H  -0.1172000       1.130400      -2.859100    
 H    1.494000      0.4668000      -2.644600    
 H   -2.094400      3.8000001E-03  -1.889300    
 H   0.5252000      -2.330600     -0.3786000    
 H    1.853700      -1.575900      -1.227400    
 H  -0.5536000       2.417900      0.6118000    
 H   -1.230200       2.445100      -1.010700    
 H    3.457000       1.887200     -0.4433000    
 H    3.259500      0.3411000      -1.255800    
 H   -1.573200      -2.230800      0.1342000    
 H   -2.292300      -2.386300      -1.471100    
 H    1.701100      -2.203000       1.670200    
 H    1.952000     -0.6515000       2.428000    
 H    4.054800      0.7982000       1.651100    
 H    5.059700      0.1351000      0.3636000    
 H    3.676800      -1.874000      0.2170000    
 H    4.121000      -1.625300       1.900700    
 H   -4.046900      -2.284500      0.2582000    
 H   -4.139900     -0.8437000     -0.7599000    
 H   -2.812000      -1.073900       1.991900    
 H   -4.280800     -0.1763000       1.584200    


%chk=000091471-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000091471

0 1
O -2.099098 1.575671 1.909707
N 1.151521 -0.546478 0.412107
N -1.507708 0.654466 -0.147500
C 0.718172 1.510296 -0.970635
C -0.090752 -0.709061 -1.748839
C 1.607209 0.843583 0.116850
C 0.572316 0.606237 -2.218357
C -1.523807 -0.411204 -1.191030
C 0.885804 -1.397579 -0.763786
C -0.699633 1.854940 -0.458188
C 3.126806 0.912030 -0.230153
C -2.252038 -1.685698 -0.719596
C 1.965165 -1.181820 1.474523
C 3.973958 0.249175 0.885188
C 3.487939 -1.193757 1.165735
C -3.525138 -1.336497 0.072303
C -2.198799 0.631488 1.058094
C -3.108726 -0.566579 1.338994
H 1.201250 2.467545 -1.252276
H -0.231482 -1.389954 -2.613512
H 1.467169 1.416795 1.059801
H -0.052668 1.114511 -2.979674
H 1.551383 0.395003 -2.688458
H -2.094547 0.001422 -2.058675
H 0.474530 -2.358669 -0.399195
H 1.806377 -1.658812 -1.350958
H -0.667335 2.459804 0.463458
H -1.221068 2.449909 -1.240625
H 3.425694 1.972067 -0.355104
H 3.325537 0.405420 -1.196070
H -1.587696 -2.283251 -0.067444
H -2.481929 -2.300690 -1.609976
H 1.588605 -2.209754 1.638250
H 1.798051 -0.615828 2.414480
H 3.876870 0.847253 1.815841
H 5.046480 0.255038 0.611625
H 3.689114 -1.835689 0.284303
H 4.041629 -1.631185 2.019647
H -4.082193 -2.252850 0.342731
H -4.201599 -0.714763 -0.547396
H -2.566406 -1.240591 2.032043
H -3.976855 -0.174742 1.896768


