%chk=000115992.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000115992

0 1
 O    1.991900      -1.720800       1.286500    
 N    3.011200      6.2000002E-03  0.1132000    
 N   -1.506900      0.2161000      0.1356000    
 N   0.3793000       1.235800      0.3080000    
 N  -0.9227000       1.425100      0.1234000    
 C    4.334100     -0.5193000      0.3073000    
 C    2.913600       1.244600     -0.6747000    
 C    4.749600      -1.471900     -0.8073000    
 C    2.976800       2.493400      0.1965000    
 C    1.890500     -0.6738000      0.6470000    
 C   0.5662000     -9.6000001E-02  0.4298000    
 C  -0.5979000     -0.7786000      0.3268000    
 C    3.814400      -2.665400     -0.9402000    
 C    2.854500       3.779300     -0.6087000    
 C   -2.882000      8.6099997E-02 -3.5000000E-02
 C  -0.9383000      -2.211300      0.3870000    
 C   -3.396300      -1.060600     -0.6299000    
 C   -3.728000       1.103800      0.3910000    
 C   -4.774500      -1.191300     -0.8007000    
 C   -5.106300      0.9731000      0.2201000    
 C   -5.629500     -0.1745000     -0.3757000    
 H    4.371300      -1.053000       1.264700    
 H    5.048500      0.3083000      0.3843000    
 H    2.018500       1.227300      -1.303100    
 H    3.750300       1.257600      -1.385100    
 H    4.786300     -0.9416000      -1.765900    
 H    5.764100      -1.834000     -0.6039000    
 H    2.227400       2.489600      0.9924000    
 H    3.942800       2.510500      0.7175000    
 H    2.819800      -2.371700      -1.286900    
 H    4.216400      -3.363200      -1.682900    
 H    3.724800      -3.210100      4.3000001E-03
 H    1.886500       3.828900      -1.117000    
 H    2.939100       4.649400      4.9699999E-02
 H    3.644500       3.845500      -1.363400    
 H  -0.9564000      -2.662300     -0.6096000    
 H  -0.1765000      -2.764700      0.9459000    
 H   -1.867700      -2.414100      0.9267000    
 H   -2.792900      -1.835400      -1.081800    
 H   -3.350500       2.004800      0.8675000    
 H   -5.181300      -2.073100      -1.287200    
 H   -5.772400       1.764200      0.5518000    
 H   -6.702200     -0.2739000     -0.5136000    


%chk=000115992-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000115992

0 1
O 1.883823 -1.800563 1.140165
N 2.964522 -0.026085 0.087817
N -1.727173 0.097432 -0.018890
N 0.179505 1.216783 -0.104231
N -1.138424 1.388140 -0.234225
C 4.273006 -0.600276 0.497037
C 3.020706 1.237278 -0.687687
C 5.028780 -1.313699 -0.651660
C 3.150770 2.500691 0.194655
C 1.816140 -0.690960 0.495844
C 0.465516 -0.126013 0.189861
C -0.751968 -0.848061 0.257369
C 4.256073 -2.507576 -1.250536
C 3.250992 3.775999 -0.668457
C -3.156347 -0.012142 -0.080979
C -1.012896 -2.283819 0.599897
C -3.777721 -1.160468 -0.627909
C -3.936291 1.074985 0.384157
C -5.186854 -1.227781 -0.683211
C -5.342255 0.999875 0.312420
C -5.973820 -0.151799 -0.213646
H 4.071484 -1.319315 1.308294
H 4.896371 0.222194 0.898860
H 2.116245 1.330746 -1.308135
H 3.891977 1.168737 -1.368684
H 5.276956 -0.587771 -1.452051
H 5.997050 -1.660651 -0.238080
H 2.260299 2.560316 0.844894
H 4.040920 2.415008 0.849210
H 3.308702 -2.173492 -1.711063
H 4.853657 -3.014953 -2.030020
H 3.999647 -3.243592 -0.468309
H 2.341726 3.901267 -1.285046
H 3.355161 4.676092 -0.036362
H 4.123488 3.738991 -1.349027
H -1.093904 -2.911321 -0.308043
H -0.153137 -2.650325 1.181102
H -1.946078 -2.400124 1.177805
H -3.174834 -1.980956 -1.026387
H -3.433439 1.959431 0.783964
H -5.666694 -2.116734 -1.106257
H -5.945132 1.840556 0.671802
H -7.066446 -0.207044 -0.261854


