%chk=000130827.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000130827

0 1
 O    1.150400      -3.350000      1.3000000E-03
 N    1.800900      -1.169400     -0.1191000    
 N  -0.4927000      -1.755400      2.1500001E-02
 C    3.818500      0.1693000     -0.2495000    
 C    3.263600      -1.285800     -0.1801000    
 C    2.560900      0.9924000     -0.1853000    
 C    1.454100      0.1648000     -0.1308000    
 C   0.1539000      0.5983000     -6.6600002E-02
 C    4.783200      0.4700000      0.8887000    
 C    2.366200       2.359800     -0.1762000    
 C   0.8398000      -2.158500     -2.9600000E-02
 C  -0.8402000     -0.4968000     -6.0000001E-03
 C  -5.8100000E-02   1.972100     -3.4699999E-02
 C    1.049100       2.845700     -9.5600002E-02
 C   -2.283600     -0.1853000      2.8300000E-02
 C   -2.994900     -7.3799998E-02  -1.162800    
 C   -2.923100     -6.0000001E-03   1.251300    
 C   -4.358000      0.2200000      -1.130500    
 C   -4.286300      0.2877000       1.283400    
 C   -5.003700      0.4008000      9.2399999E-02
 H    4.313000      0.3273000      -1.215100    
 H    3.527200      -1.862900      -1.073600    
 H    3.607800      -1.843800      0.6978000    
 H    4.307000      0.3380000       1.866900    
 H    5.652500     -0.1942000      0.8419000    
 H    5.145200       1.502400      0.8343000    
 H    3.202400       3.048900     -0.2224000    
 H   -1.057700       2.390600      2.9200001E-02
 H   0.8784000       3.919600     -7.8800000E-02
 H   -2.500800     -0.2129000      -2.120700    
 H   -2.372900     -9.2000000E-02   2.184500    
 H   -4.916700      0.3082000      -2.057700    
 H   -4.789300      0.4286000       2.235700    
 H   -6.065100      0.6297000      0.1175000    


%chk=000130827-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000130827

0 1
O 1.169340 -3.252512 0.941388
N 1.794075 -1.150851 0.143379
N -0.521074 -1.648684 0.513156
C 3.856532 0.054306 -0.306977
C 3.269563 -1.355067 0.097294
C 2.617067 0.956467 -0.366076
C 1.470497 0.169435 -0.116007
C 0.139111 0.647731 -0.082732
C 4.941553 0.554515 0.675138
C 2.433764 2.326727 -0.578384
C 0.828463 -2.096306 0.569201
C -0.866615 -0.390343 0.196781
C -0.015428 2.057327 -0.271235
C 1.108904 2.868840 -0.517194
C -2.332008 -0.113021 0.142802
C -2.899322 0.761394 -0.824227
C -3.193134 -0.792089 1.046789
C -4.295733 0.964502 -0.870990
C -4.585040 -0.575379 1.008378
C -5.141900 0.307049 0.051440
H 4.306193 -0.017491 -1.316724
H 3.513736 -2.150073 -0.627106
H 3.622085 -1.685358 1.091161
H 4.534985 0.636640 1.699162
H 5.801635 -0.139142 0.698364
H 5.318348 1.549467 0.376485
H 3.283767 2.991063 -0.770548
H -1.006117 2.513753 -0.196619
H 0.969352 3.946071 -0.655969
H -2.259792 1.242114 -1.571746
H -2.747060 -1.493517 1.758421
H -4.723041 1.626752 -1.632041
H -5.236898 -1.097818 1.717011
H -6.224810 0.470897 0.017827


