%chk=000057252.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000057252

0 1
 O   0.9074000     -0.2288000       1.601100    
 N    3.290800     -0.1392000      0.2138000    
 N  -0.2368000     -0.3158000     -0.4471000    
 C   -1.572100     -2.6300000E-02 -7.7900000E-02
 C    2.116500     -0.7320000     -0.4252000    
 C   -2.005300       1.291100     -6.5099999E-02
 C   -2.424900      -1.065200      0.2642000    
 C    4.505800     -0.4969000     -0.5174000    
 C    3.150700       1.314400      0.2924000    
 C   0.8768000     -0.3979000      0.3863000    
 C   -1.099500       2.422200     -0.4306000    
 C   -1.974400      -2.490100      0.2556000    
 C   -3.321500       1.576200      0.2982000    
 C   -3.741300     -0.7801000      0.6274000    
 C   -4.189400      0.5406000      0.6444000    
 C    4.699800      -2.003200     -0.5561000    
 C    4.362700       1.947700      0.9543000    
 C   -1.147300       2.742000      -1.921200    
 C   -2.198100      -3.158600      -1.097000    
 H    2.155100      -1.826500     -0.4294000    
 H    2.009900     -0.3852000      -1.460700    
 H    4.503500     -9.6400000E-02  -1.539000    
 H    5.395200     -0.1073000     -1.2100000E-02
 H    3.009500       1.759500     -0.7013000    
 H    2.287400       1.609200      0.8964000    
 H  -0.1369000     -0.6546000      -1.401500    
 H   -1.388300       3.319300      0.1328000    
 H  -6.6100001E-02   2.224900     -0.1265000    
 H  -0.9219000      -2.581500      0.5453000    
 H   -2.523400      -3.052300       1.022600    
 H   -3.686000       2.600100      0.3139000    
 H   -4.429900      -1.576500      0.8973000    
 H   -5.214500      0.7626000      0.9261000    
 H    4.581500      -2.453700      0.4354000    
 H    4.016000      -2.495500      -1.254300    
 H    5.714600      -2.233800     -0.8998000    
 H    4.635600       1.433700       1.882300    
 H    5.233700       1.982400      0.2927000    
 H    4.133600       2.987400       1.215400    
 H  -0.8246000       1.885200      -2.522000    
 H  -0.4851000       3.583600      -2.147800    
 H   -2.160400       3.012600      -2.237300    
 H   -3.256900      -3.143900      -1.377000    
 H   -1.871600      -4.202800      -1.060300    
 H   -1.634000      -2.654600      -1.888800    


%chk=000057252-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000057252

0 1
O 0.868414 0.100472 1.654214
N 3.293980 -0.079810 -0.099850
N -0.274730 -0.445467 -0.319945
C -1.629358 -0.132889 0.075442
C 2.125952 -0.965905 -0.190255
C -1.989592 1.185829 0.480973
C -2.595772 -1.181652 0.013927
C 4.577225 -0.782776 -0.349071
C 3.125245 1.169410 -0.886683
C 0.866766 -0.370141 0.484270
C -1.007081 2.347971 0.468845
C -2.217485 -2.587795 -0.433993
C -3.337410 1.420184 0.852951
C -3.934497 -0.894813 0.373060
C -4.307105 0.397173 0.798706
C 4.969888 -1.753542 0.781463
C 4.048941 2.310331 -0.420354
C -0.708315 2.864416 -0.964850
C -2.251661 -2.767812 -1.977305
H 2.352594 -1.903092 0.350175
H 1.886472 -1.254249 -1.252699
H 4.565226 -1.327539 -1.330102
H 5.363267 -0.011713 -0.430284
H 3.268923 0.985904 -1.984216
H 2.078836 1.502131 -0.756581
H -0.155245 -0.906519 -1.225827
H -1.435268 3.178283 1.061393
H -0.068760 2.054306 0.969714
H -1.211142 -2.849004 -0.054890
H -2.922510 -3.310616 0.016451
H -3.624094 2.427212 1.178920
H -4.679894 -1.698474 0.335768
H -5.342754 0.604609 1.089916
H 4.966324 -1.223529 1.749161
H 4.280953 -2.614097 0.861359
H 5.982249 -2.159675 0.599967
H 3.896519 2.496004 0.656516
H 5.117720 2.083600 -0.584593
H 3.818481 3.237381 -0.977555
H -0.276898 2.065354 -1.594629
H 0.013409 3.701678 -0.932945
H -1.629806 3.223629 -1.458388
H -3.259437 -2.548608 -2.372959
H -1.986303 -3.802936 -2.260046
H -1.546366 -2.087227 -2.492673


