%chk=000026568.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000026568

0 1
 O   -6.467500     -0.7632000     -1.4200000E-02
 N   -3.071300      0.6538000      5.1000002E-03
 C   0.7264000      0.5241000      9.9999997E-05
 C    2.333600     -0.9892000       1.245700    
 C    2.345900     -0.9518000      -1.274100    
 C    3.210000       1.030700      1.9700000E-02
 C   0.9233000     -0.3738000       1.244600    
 C   0.9356000     -0.3366000      -1.268300    
 C    1.797200       1.640500      2.1700000E-02
 C    2.518500      -1.833500     -2.6100000E-02
 C    3.378200      0.1392000       1.261200    
 C    3.390400      0.1763000      -1.246000    
 C  -0.6776000       1.134500      2.3000001E-03
 C   -1.745000      4.8400000E-02  2.1700000E-02
 C   -4.108900     -0.3673000      3.3900000E-02
 C   -5.488900      0.2679000     -2.7300000E-02
 H    2.460800      -1.621900       2.131300    
 H    2.481700      -1.557900      -2.176900    
 H    3.957900       1.831200      3.5200000E-02
 H   0.2138000      -1.206900       1.268000    
 H   0.7701000      0.2064000       2.163400    
 H   0.7930000      0.2721000      -2.170400    
 H   0.2230000      -1.165300      -1.326500    
 H    1.670300       2.271300      0.9110000    
 H    1.678500       2.297200     -0.8498000    
 H    1.789800      -2.653200     -4.1900001E-02
 H    3.514300      -2.293600     -2.8100001E-02
 H    3.267000      0.7402000       2.172000    
 H    4.389000     -0.2867000       1.282100    
 H    3.288100      0.8040000      -2.139600    
 H    4.401300     -0.2489000      -1.269600    
 H  -0.8073000       1.770600     -0.8833000    
 H  -0.8000000       1.786900      0.8773000    
 H   -1.673000     -0.5561000      0.9292000    
 H   -1.663400     -0.6106000     -0.8459000    
 H   -3.176500       1.229500     -0.8300000    
 H   -4.034900     -0.9700000      0.9478000    
 H   -3.999800      -1.062200     -0.8086000    
 H   -5.615400      0.8511000     -0.9456000    
 H   -5.660900      0.9210000      0.8348000    
 H   -7.337700     -0.3310000     -5.3300001E-02


%chk=000026568-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000026568

0 1
O -6.719186 -0.537405 -0.014783
N -3.167511 0.591892 -0.074388
C 0.737772 0.396975 -0.026202
C 2.464308 -0.981185 1.268667
C 2.518405 -0.963248 -1.267383
C 3.207526 1.101260 0.029738
C 0.995323 -0.477868 1.238630
C 1.049780 -0.458586 -1.292700
C 1.736918 1.595836 0.002807
C 2.741737 -1.833459 -0.000103
C 3.432102 0.231374 1.296938
C 3.486598 0.248830 -1.238214
C -0.711377 0.957450 -0.050391
C -1.849370 -0.083062 -0.015402
C -4.322863 -0.331453 -0.080401
C -5.630919 0.452020 0.067153
H 2.619942 -1.601544 2.173927
H 2.711988 -1.571383 -2.173686
H 3.889412 1.974858 0.050555
H 0.310976 -1.349739 1.248506
H 0.777587 0.116902 2.150083
H 0.874746 0.152598 -2.202968
H 0.364526 -1.327798 -1.348149
H 1.532550 2.222362 0.895633
H 1.569171 2.236229 -0.888179
H 2.070367 -2.715991 -0.020700
H 3.782652 -2.215108 0.019383
H 3.254721 0.836521 2.209114
H 4.482786 -0.120616 1.336349
H 3.349057 0.866285 -2.149145
H 4.538042 -0.103186 -1.237154
H -0.826646 1.577310 -0.967688
H -0.853103 1.642161 0.810387
H -1.812246 -0.653901 0.932254
H -1.718408 -0.823645 -0.843463
H -3.206165 1.247627 -0.869208
H -4.223799 -1.019471 0.779908
H -4.388106 -0.966586 -0.997027
H -5.720265 1.204271 -0.749064
H -5.632822 0.986801 1.038692
H -7.586606 -0.087125 0.140276


