%chk=000037461.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000037461

0 1
 O   -3.952000     -0.9176000       1.538600    
 N  -0.8818000      -1.143100     -0.2398000    
 C   -3.716200     -0.5830000      0.1675000    
 C   -1.253400      2.6400000E-02  0.5853000    
 C   -2.643800      0.5182000      9.8499998E-02
 C   -5.038100     -0.1023000     -0.4316000    
 C   -3.223500      -1.843000     -0.5474000    
 C   -1.830300      -2.250600     -6.7400001E-02
 C   0.4718000      -1.567200      0.1101000    
 C    1.490500     -0.5232000     -0.4071000    
 C  -0.1934000       1.134000      0.5355000    
 C    1.107700      0.9060000     -1.1000000E-03
 C   -6.103500      -1.201100     -0.2849000    
 C   -5.510500       1.163000      0.3035000    
 C   -4.844700      0.2201000      -1.922300    
 C    2.933400     -0.9295000     -7.3500000E-02
 C    1.962400       2.023000     -0.1928000    
 C  -0.5159000       2.397500       1.065400    
 C    3.294600       2.041200     -0.9204000    
 C    3.996800     -0.3218000     -0.7704000    
 C    3.721400      0.8137000      -1.715600    
 C    1.577400       3.280600      0.3206000    
 C   0.3660000       3.461300      0.9682000    
 C    3.258600      -1.910000      0.8820000    
 C    5.326100     -0.7096000     -0.5288000    
 C    4.583300      -2.288900       1.118800    
 C    5.617000      -1.693900      0.4090000    
 H   -1.330200     -0.2756000       1.640400    
 H   -2.953900       1.344500      0.7438000    
 H   -2.515100      0.9186000     -0.9116000    
 H   -3.151300      -1.708800      -1.630400    
 H   -3.879500      -2.701100     -0.3642000    
 H   -1.867000      -2.581500      0.9788000    
 H   -1.509400      -3.112900     -0.6652000    
 H   0.7004000      -2.533500     -0.3597000    
 H   0.5383000      -1.708100       1.197100    
 H    1.392700     -0.5618000      -1.502300    
 H   -6.281000      -1.482100      0.7580000    
 H   -7.065900     -0.8448000     -0.6741000    
 H   -5.867600      -2.104500     -0.8548000    
 H   -4.880100       2.032900      9.2900001E-02
 H   -5.555200       1.021800       1.388600    
 H   -6.521600       1.437600     -2.2100000E-02
 H   -4.606600     -0.6534000      -2.534400    
 H   -5.789200      0.6045000      -2.331400    
 H   -4.108800       1.002200      -2.119700    
 H   -4.343800      -1.805100       1.589000    
 H   -1.465900       2.572500       1.561900    
 H    3.263800       2.877100      -1.633200    
 H    4.073200       2.283100     -0.1832000    
 H    4.631000       1.056600      -2.279700    
 H    2.977600      0.5327000      -2.468900    
 H    2.239100       4.138300      0.2117000    
 H   9.8700002E-02   4.433800       1.369600    
 H    2.495500      -2.414600       1.465900    
 H    6.144400     -0.2314000      -1.061400    
 H    4.802600      -3.052900       1.859300    
 H    6.646200      -1.986100      0.5931000    


%chk=000037461-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000037461

0 1
O -3.927436 -0.819792 1.565757
N -0.837424 -1.202242 -0.118450
C -3.710401 -0.581296 0.104860
C -1.261804 -0.011999 0.659188
C -2.607254 0.503204 0.081704
C -5.075402 -0.086561 -0.542976
C -3.173539 -1.885701 -0.542270
C -1.810666 -2.303918 0.043007
C 0.542979 -1.570800 0.227785
C 1.519036 -0.539845 -0.378603
C -0.182768 1.078390 0.648216
C 1.107178 0.894020 0.050242
C -6.215781 -1.101755 -0.239718
C -5.489657 1.281491 0.067316
C -4.954955 0.066118 -2.085227
C 2.983129 -0.919453 -0.093117
C 1.959158 2.036196 -0.096585
C -0.519391 2.318071 1.244162
C 3.273154 2.100225 -0.890098
C 4.020597 -0.291320 -0.841193
C 3.673880 0.873918 -1.743218
C 1.574112 3.270722 0.487679
C 0.365496 3.410001 1.192714
C 3.341368 -1.935416 0.829780
C 5.365866 -0.690624 -0.662562
C 4.688442 -2.324154 1.011553
C 5.708827 -1.705754 0.257985
H -1.458726 -0.307799 1.722458
H -2.954992 1.361042 0.677740
H -2.430963 0.846517 -0.952793
H -3.042550 -1.728880 -1.627410
H -3.898068 -2.713294 -0.405952
H -1.932580 -2.589411 1.119087
H -1.433254 -3.190168 -0.500732
H 0.765528 -2.569535 -0.190766
H 0.677449 -1.630500 1.337499
H 1.373440 -0.613789 -1.477477
H -6.455492 -1.134300 0.839839
H -7.137609 -0.789752 -0.763890
H -5.977328 -2.125174 -0.583833
H -4.847607 2.105400 -0.292235
H -5.433367 1.247671 1.169982
H -6.529951 1.523445 -0.221145
H -4.858771 -0.909717 -2.594230
H -5.865721 0.555376 -2.478968
H -4.091751 0.692530 -2.373686
H -4.492727 -1.627064 1.668980
H -1.483354 2.427800 1.753422
H 3.200988 2.981925 -1.558600
H 4.105070 2.315986 -0.188927
H 4.546587 1.145212 -2.365721
H 2.849768 0.621294 -2.438513
H 2.244733 4.133198 0.381765
H 0.103386 4.361934 1.667156
H 2.572306 -2.439870 1.421397
H 6.150479 -0.196751 -1.249255
H 4.935020 -3.109617 1.734993
H 6.754613 -2.007238 0.385586


