%chk=000048794.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000048794

0 1
 O  -0.2526000      -1.101000       2.206900    
 O   0.9168000     -0.9890000      -2.339500    
 O    3.269800       1.454200      0.7511000    
 N    1.444700      0.2512000       1.463200    
 N    2.028500      0.3077000     -0.8079000    
 C  -0.1313000     -0.6698000     -0.1763000    
 C   -1.139200      0.4703000     -0.4072000    
 C  -0.8332000      -2.018700     -0.3901000    
 C  -0.4800000       1.861200     -0.2238000    
 C   0.3390000     -0.5637000       1.271000    
 C   0.9773000     -0.5023000      -1.210700    
 C   -1.674600      0.3716000      -1.848900    
 C   9.4700001E-02  -3.168500     -6.8300001E-02
 C   -2.279600      0.3157000      0.5277000    
 C   -1.381200       3.057500     -0.5161000    
 C    2.304900      0.7356000      0.4850000    
 C   -3.203900      0.1880000       1.283900    
 H   -1.146700      -2.173400      -1.426900    
 H   -1.725900      -2.140100      0.2330000    
 H  -0.1479000       2.005300      0.8090000    
 H   0.3724000       2.003600     -0.8906000    
 H  -0.9217000      0.6043000      -2.607900    
 H   -2.140600     -0.5858000      -2.094300    
 H   -2.486200       1.095000      -2.005400    
 H    1.012200      -3.144000     -0.6641000    
 H   0.3763000      -3.208700      0.9874000    
 H  -0.4064000      -4.116900     -0.2939000    
 H   -1.646600       3.118600      -1.575500    
 H   -2.301300       3.032800      7.4800000E-02
 H  -0.8554000       3.985400     -0.2650000    
 H    1.698900      0.4518000       2.426400    
 H    2.713100      0.5499000      -1.518800    
 H   -4.022900      7.4199997E-02   1.954800    


%chk=000048794-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000048794

0 1
O -0.349809 -0.915048 2.245655
O 0.948293 -0.783409 -2.410936
O 3.643060 1.020116 0.901481
N 1.568738 0.135186 1.525341
N 2.214879 0.160534 -0.738251
C -0.122803 -0.626334 -0.193605
C -1.251351 0.535564 -0.483729
C -0.732539 -2.050670 -0.393611
C -0.597657 1.957190 -0.317181
C 0.330494 -0.498719 1.276035
C 1.027773 -0.439393 -1.201827
C -1.844496 0.383192 -1.918125
C 0.238161 -3.203180 -0.058047
C -2.360913 0.382555 0.484564
C -1.565891 3.146076 -0.491392
C 2.549332 0.488579 0.587147
C -3.335118 0.311890 1.235779
H -1.042095 -2.140132 -1.447703
H -1.629958 -2.118432 0.245293
H -0.143621 2.027248 0.689139
H 0.223103 2.050738 -1.054834
H -1.062093 0.461927 -2.689535
H -2.361704 -0.581128 -2.041639
H -2.592064 1.176754 -2.080762
H 1.140347 -3.178792 -0.696789
H 0.549573 -3.183673 1.001320
H -0.261184 -4.172190 -0.235348
H -1.948278 3.225494 -1.523815
H -2.428410 3.057753 0.191954
H -1.043119 4.091385 -0.259507
H 1.820137 0.277419 2.509320
H 2.947082 0.328987 -1.436325
H -4.156468 0.224514 1.922935


