%chk=000049401.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000049401

0 1
 O    4.687700      -1.067500      0.6582000    
 N    4.202000     -0.8041000     -0.6923000    
 C   -2.969200      0.7709000      -1.393900    
 C   -1.621500       1.354200      -1.820700    
 C  -0.5763000     -0.3380000      0.2733000    
 C   -2.992100     -0.4782000     -0.5306000    
 C  -0.8747000       1.952400     -0.6561000    
 C   -1.913800     -0.9863000      0.2274000    
 C  -0.3724000       1.123300      0.3605000    
 C   0.5310000      -1.092900      0.1333000    
 C    1.920500     -0.5413000      0.1641000    
 C   -4.235200      -1.147200     -0.4700000    
 C  -0.6801000       3.338600     -0.5729000    
 C   -2.125900      -2.134100       1.023000    
 C   0.3094000       1.691400       1.447600    
 C    2.856500      -1.366700     -0.7179000    
 C   -4.416900      -2.288700      0.3080000    
 C   2.7000001E-03   3.893900      0.5091000    
 C   -3.360400      -2.781800       1.057500    
 C   0.4960000       3.071600       1.518600    
 C    5.100700      -1.559800      -1.560900    
 C    6.032100     -0.6098000      0.7346000    
 H   -3.513000      0.5389000      -2.320100    
 H   -3.548300       1.544500     -0.8710000    
 H   -1.802800       2.131900      -2.573700    
 H  -0.9997000      0.5987000      -2.317200    
 H   0.4462000      -2.173100      3.1800002E-02
 H    2.274000     -0.5675000       1.202000    
 H    1.981100      0.4914000     -0.1942000    
 H   -5.083200     -0.7689000      -1.038500    
 H   -1.062400       3.996300      -1.349400    
 H   -1.327000      -2.535900       1.644200    
 H   0.6862000       1.071300       2.257600    
 H    2.860800      -2.417100     -0.3952000    
 H    2.473000      -1.347300      -1.746700    
 H   -5.383400      -2.782500      0.3335000    
 H   0.1469000       4.969000      0.5655000    
 H   -3.494600      -3.663900       1.676500    
 H    1.022200       3.505200       2.364000    
 H    4.667300      -1.639900      -2.565600    
 H    5.282300      -2.580800      -1.203800    
 H    6.058000      -1.050500      -1.714400    
 H    6.735100      -1.386700      0.4180000    
 H    6.244100     -0.4039000       1.788900    
 H    6.192100      0.3267000      0.1876000    


%chk=000049401-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000049401

0 1
O 4.879391 -1.724290 0.397812
N 4.350125 -0.990060 -0.826805
C -2.915881 0.701150 -1.502773
C -1.543803 1.292045 -1.910387
C -0.449662 -0.293801 0.260436
C -2.931447 -0.463500 -0.505463
C -0.862426 1.990493 -0.749108
C -1.821044 -0.916101 0.276498
C -0.345031 1.202023 0.317389
C 0.661660 -1.096996 0.256561
C 2.111840 -0.669220 0.259639
C -4.173525 -1.142988 -0.378171
C -0.754920 3.400061 -0.686641
C -2.020486 -2.023142 1.155990
C 0.265343 1.844883 1.423957
C 2.903158 -1.346874 -0.880313
C -4.351607 -2.238643 0.488364
C -0.147019 4.035409 0.420583
C -3.258181 -2.684439 1.265174
C 0.363590 3.253117 1.481106
C 5.097306 -1.563550 -1.979552
C 5.723442 -0.793893 1.156016
H -3.437526 0.363798 -2.420797
H -3.534590 1.523646 -1.087139
H -1.704626 2.007276 -2.738543
H -0.899466 0.479599 -2.299866
H 0.498940 -2.185254 0.204144
H 2.591812 -0.973618 1.212553
H 2.212060 0.426198 0.175314
H -5.019498 -0.797317 -0.986694
H -1.147204 4.003337 -1.514840
H -1.183834 -2.340520 1.787869
H 0.649750 1.233005 2.248030
H 2.765155 -2.453016 -0.840171
H 2.529535 -0.992632 -1.860555
H -5.326536 -2.733482 0.560329
H -0.072382 5.128202 0.455063
H -3.372448 -3.525647 1.957846
H 0.833138 3.734569 2.346207
H 4.756565 -1.052219 -2.898300
H 4.948069 -2.659869 -2.091514
H 6.172832 -1.361153 -1.847362
H 6.613986 -0.483508 0.574064
H 6.043124 -1.363982 2.046003
H 5.157320 0.106701 1.457744


