%chk=000016428.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000016428

1 1
 O    1.640100     -0.1030000       2.285200    
 N   -3.582600     -0.2543000      2.1700000E-02
 N    2.929800      -1.787500      0.8198000    
 C   -5.063600     -0.5986000      8.8000000E-02
 C   -3.398000       1.238900      0.2500000    
 C   -2.833300      -1.028000       1.096900    
 C   -3.035400     -0.6297000      -1.347900    
 C   -5.240500      -2.083900     -0.1394000    
 C   -4.144800       2.002900     -0.8216000    
 C   -1.412300     -0.6992000       1.035200    
 C    1.202300     -9.3099996E-02  0.9159000    
 C  -0.2433000     -0.4265000      0.9779000    
 C    1.476400       1.296900      0.3216000    
 C    1.971700      -1.165300      0.1321000    
 C   0.5972000       1.793900     -0.6085000    
 C    2.588600       1.980400      0.7467000    
 C    1.615500      -1.381400      -1.168200    
 C   0.8462000       3.055700      -1.148200    
 C    2.837600       3.242300      0.2071000    
 C    1.966300       3.780100     -0.7403000    
 C    2.331500      -2.358900      -1.850100    
 C    3.604100      -2.730700      0.1245000    
 C    3.346400      -3.051100      -1.198600    
 H   -5.447600     -0.2904000       1.066600    
 H   -5.598200     -6.6600002E-02 -0.7027000    
 H   -3.780400       1.481200       1.248100    
 H   -2.336000       1.489600      0.2039000    
 H   -3.269700     -0.7661000       2.066800    
 H   -2.947900      -2.100800      0.9236000    
 H   -2.125200     -5.7599999E-02  -1.548200    
 H   -2.792700      -1.697100      -1.366400    
 H   -3.783700     -0.4145000      -2.116900    
 H   -6.315100      -2.293600     -0.2112000    
 H   -4.802500      -2.455200      -1.068500    
 H   -4.886800      -2.692500      0.6970000    
 H   -3.907200       3.068200     -0.7099000    
 H   -3.860800       1.740500      -1.843100    
 H   -5.231200       1.940400     -0.7190000    
 H  -0.2673000       1.251000     -0.9679000    
 H    3.285000       1.573700       1.472700    
 H    1.880400      -1.012800       2.530600    
 H   0.8189000     -0.8522000      -1.675400    
 H   0.1712000       3.472000      -1.890300    
 H    3.711600       3.805000      0.5218000    
 H    2.161300       4.761700      -1.162100    
 H    2.097500      -2.583000      -2.886500    
 H    4.385300      -3.241500      0.6777000    
 H    3.917000      -3.817500      -1.710200    


%chk=000016428-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000016428

1 1
O 0.607449 0.778823 1.287025
N -3.819343 -0.256482 0.128667
N 2.269894 -1.089325 1.544635
C -5.270122 -0.794932 0.172853
C -3.257136 -0.155002 1.581223
C -2.920432 -1.268085 -0.669442
C -3.757936 1.105924 -0.552136
C -5.913594 -1.092048 -1.187299
C -4.050725 0.751210 2.528331
C -1.517769 -0.881574 -0.618515
C 0.902275 0.176779 -0.017667
C -0.370101 -0.462780 -0.449353
C 1.397176 1.237760 -1.017473
C 1.998756 -0.913021 0.222890
C 1.117859 1.136239 -2.401291
C 2.201071 2.299228 -0.538738
C 2.662112 -1.628038 -0.794200
C 1.645621 2.088006 -3.303551
C 2.725011 3.249762 -1.441090
C 2.452649 3.145370 -2.825791
C 3.643205 -2.569784 -0.410757
C 3.220479 -1.992538 1.914446
C 3.928783 -2.757543 0.962870
H -5.234063 -1.705873 0.796855
H -5.857267 -0.034296 0.711724
H -3.230247 -1.193522 1.957807
H -2.217739 0.200805 1.479217
H -3.096890 -2.258822 -0.210961
H -3.310402 -1.283630 -1.701022
H -2.724250 1.477883 -0.499516
H -4.058592 1.001077 -1.604612
H -4.438950 1.799141 -0.038667
H -6.956538 -1.402809 -0.999518
H -5.960762 -0.209025 -1.846729
H -5.429812 -1.921439 -1.728741
H -3.517039 0.755118 3.495205
H -4.089500 1.799940 2.189558
H -5.074604 0.395436 2.730044
H 0.483416 0.324060 -2.777517
H 2.389130 2.385427 0.535633
H 1.154225 0.189624 1.930076
H 2.437508 -1.439724 -1.847818
H 1.426501 2.006117 -4.373698
H 3.342954 4.072453 -1.065923
H 2.861554 3.883458 -3.523957
H 4.184635 -3.141483 -1.170910
H 3.409954 -2.092541 2.987270
H 4.687395 -3.473528 1.290862


