%chk=000037683.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000037683

0 1
 O   0.1887000       1.337400       2.072600    
 N   0.9869000     -0.5144000      0.8496000    
 N    4.436200      0.6802000      0.1166000    
 C   -1.377900     -0.2242000      0.9707000    
 C  -0.9824000      -1.435000      0.1465000    
 C   1.2100000E-02  0.3364000       1.391600    
 C   0.4081000      -1.555900      0.1129000    
 C   -2.107200      0.7982000      0.1581000    
 C   -2.181100     -0.6067000       2.210500    
 C    2.408800     -0.3385000       1.028500    
 C   -1.788500      -2.351400     -0.5107000    
 C    1.034000      -2.582700     -0.5730000    
 C    3.007500      0.4908000     -9.8099999E-02
 C   -3.495000      0.7418000      5.6699999E-02
 C   -1.394900       1.801900     -0.4938000    
 C   -1.172800      -3.393500      -1.208000    
 C   0.2270000      -3.507500      -1.239000    
 C   -4.174900       1.695200     -0.7013000    
 C   -2.074900       2.755300      -1.251700    
 C   -3.464900       2.701900      -1.355400    
 C    5.020800       1.481400     -0.9499000    
 C    6.484700       1.689200     -0.7334000    
 H   -2.512800      0.2758000       2.771500    
 H   -3.057400      -1.225800       1.989100    
 H   -1.563700      -1.197200       2.900400    
 H    2.565000      0.1810000       1.982400    
 H    2.893600      -1.317500       1.116500    
 H   -2.869800      -2.273200     -0.4890000    
 H    2.112700      -2.681800     -0.6087000    
 H    2.830900     -8.3999997E-03  -1.058800    
 H    2.500700       1.463300     -0.1392000    
 H   -4.085300     -3.5500001E-02  0.5300000    
 H  -0.3121000       1.870800     -0.4739000    
 H   -1.782000      -4.125000      -1.732100    
 H   0.6855000      -4.325500      -1.788300    
 H    4.901800     -0.2258000      0.1635000    
 H   -5.256700       1.650800     -0.7871000    
 H   -1.522100       3.534800      -1.767900    
 H   -3.994000       3.442300      -1.948100    
 H    4.868700      0.9912000      -1.918900    
 H    4.528900       2.460400     -0.9944000    
 H    6.680800       2.204600      0.2132000    
 H    7.027800      0.7379000     -0.7186000    
 H    6.908300       2.300000      -1.537600    


%chk=000037683-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000037683

0 1
O 0.264422 1.464365 2.007090
N 0.994737 -0.427732 0.798040
N 4.558998 0.569196 0.013793
C -1.386060 -0.140621 0.955778
C -1.013662 -1.375656 0.123401
C 0.017296 0.437500 1.320904
C 0.401484 -1.496665 0.075691
C -2.251298 0.859491 0.161121
C -2.054596 -0.542866 2.307727
C 2.434048 -0.218865 0.992793
C -1.814288 -2.323661 -0.528878
C 1.038144 -2.555035 -0.599579
C 3.106849 0.467255 -0.220512
C -3.634688 0.604901 -0.032344
C -1.692284 2.018127 -0.435412
C -1.193264 -3.401210 -1.214820
C 0.216279 -3.512835 -1.244595
C -4.433789 1.476617 -0.803139
C -2.489880 2.891309 -1.208620
C -3.863897 2.624756 -1.399214
C 5.292517 1.441421 -0.931544
C 6.791990 1.476837 -0.590703
H -2.185229 0.355662 2.934706
H -3.038292 -1.012628 2.141000
H -1.422679 -1.267324 2.851284
H 2.564460 0.421557 1.880996
H 2.913690 -1.196558 1.196782
H -2.905853 -2.234637 -0.521672
H 2.128891 -2.642334 -0.634699
H 2.838364 -0.076904 -1.160339
H 2.699636 1.491142 -0.315842
H -4.104086 -0.272222 0.427003
H -0.636229 2.257948 -0.277202
H -1.809024 -4.147759 -1.727372
H 0.683301 -4.348085 -1.778433
H 5.002771 -0.357987 0.086368
H -5.499928 1.260308 -0.936366
H -2.037867 3.784119 -1.655431
H -4.482600 3.303373 -1.996923
H 5.159617 1.128474 -1.998082
H 4.868704 2.461086 -0.846367
H 6.940928 1.828335 0.445063
H 7.247706 0.471678 -0.681572
H 7.333758 2.153227 -1.275877


