%chk=000055005.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000055005

0 1
 O    3.906000     -0.3837000      -1.437000    
 N   -2.757500      0.3960000      3.5399999E-02
 N    2.407900     -0.1643000      0.3491000    
 C   -4.683800     -0.8898000      0.3346000    
 C   -3.470400      -1.813100      0.2829000    
 C   -4.196500      0.4396000     -0.2228000    
 C   -2.351700     -0.9669000     -0.3064000    
 C   -2.026300       1.400200     -0.7229000    
 C  -0.5902000       1.326600     -0.4391000    
 C    2.027500       1.197900      7.1800001E-02
 C   0.5873000       1.269300     -0.2080000    
 C    2.405200       2.105600       1.235100    
 C    1.768400     -0.7865000       1.512000    
 C    3.337500     -0.8557000     -0.4487000    
 C    3.636700      -2.275100     -3.5999998E-02
 H   -5.520600      -1.287000     -0.2489000    
 H   -5.020500     -0.7777000       1.372000    
 H   -3.215200      -2.146100       1.295900    
 H   -3.663700      -2.703100     -0.3245000    
 H   -4.416300      0.4927000      -1.296900    
 H   -4.680100       1.286400      0.2743000    
 H   -1.386400      -1.248600      0.1266000    
 H   -2.307600      -1.120300      -1.392600    
 H   -2.193800       1.289200      -1.801800    
 H   -2.386400       2.398300     -0.4452000    
 H    2.568800       1.547100     -0.8152000    
 H    2.194200       3.153300      0.9916000    
 H    3.473700       2.023000       1.463700    
 H    1.850100       1.872100       2.150800    
 H   0.8376000     -0.2885000       1.794700    
 H    2.468900     -0.7360000       2.351400    
 H    1.535800      -1.834900       1.310600    
 H    4.483200      -2.650400     -0.6197000    
 H    3.911500      -2.324600       1.020700    
 H    2.772400      -2.913400     -0.2371000    


%chk=000055005-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000055005

0 1
O 4.290204 0.025932 -1.140516
N -2.867379 0.371108 -0.008233
N 2.508552 -0.269335 0.332331
C -4.952254 -0.726957 0.410568
C -3.785538 -1.775118 0.425677
C -4.329210 0.550909 -0.215369
C -2.614270 -1.064726 -0.295468
C -2.043855 1.321996 -0.790283
C -0.603565 1.231462 -0.482426
C 2.052741 1.127971 0.054035
C 0.607548 1.171747 -0.253371
C 2.425536 2.083623 1.219676
C 1.796234 -1.045669 1.360539
C 3.665847 -0.709621 -0.309151
C 4.147527 -2.121680 0.019823
H -5.817886 -1.075223 -0.179288
H -5.304294 -0.528669 1.436869
H -3.501918 -2.014141 1.464690
H -4.057768 -2.719270 -0.077241
H -4.585037 0.606895 -1.305920
H -4.677287 1.484001 0.262905
H -1.619361 -1.366337 0.074945
H -2.647076 -1.273946 -1.396748
H -2.187090 1.176018 -1.894909
H -2.395132 2.347008 -0.558639
H 2.631591 1.428985 -0.841234
H 2.122359 3.116162 0.974191
H 3.517686 2.064652 1.378532
H 1.917492 1.792449 2.155907
H 0.744642 -0.712742 1.391768
H 2.236747 -0.913534 2.369084
H 1.801750 -2.119940 1.115792
H 5.118034 -2.267087 -0.476444
H 4.268713 -2.280718 1.106293
H 3.441418 -2.884603 -0.357985


