%chk=000022849.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000022849

0 1
 O  -0.4101000       2.491200     -1.2000001E-03
 O   -1.117500      -2.805600      8.9999998E-04
 O    5.366300     -0.2285000      6.9999998E-04
 N    2.172100       2.266600      6.0000003E-04
 C   0.6161000      0.3529000       0.000000    
 C   0.4201000      -1.029700     -3.9999999E-04
 C   -1.904800      0.7104000      3.9999999E-04
 C   -2.100800     -0.6724000       0.000000    
 C  -0.5391000       1.273400      1.9999999E-04
 C  -0.9455000      -1.592800     -1.9999999E-04
 C    1.915500      0.8738000     -9.9999997E-05
 C    1.523500      -1.891500     -5.0000002E-04
 C    3.012400      1.1500000E-02 -3.0000001E-04
 C    2.816800      -1.368200     -5.0000002E-04
 C   -3.008200       1.572100      6.0000003E-04
 C   -3.400300      -1.193400     -1.9999999E-04
 C   -4.301500       1.048700      9.9999997E-05
 C   -4.497100     -0.3311000     -1.9999999E-04
 C    4.382200      0.5125000       0.000000    
 H    1.397200      -2.970800     -6.9999998E-04
 H    3.654300      -2.061100     -6.0000003E-04
 H   -2.885300       2.651800      7.9999998E-04
 H   -3.579400      -2.265200     -6.0000003E-04
 H   -5.157200       1.717700      9.9999997E-05
 H   -5.505100     -0.7359000     -5.0000002E-04
 H    3.083600       2.658800      0.1706000    
 H    1.395900       2.913200     -3.1900000E-02
 H    4.567600       1.593400     -1.6200000E-02


%chk=000022849-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000022849

0 1
O -0.424193 2.597773 0.014284
O -1.112043 -2.876745 -0.006346
O 5.481769 -0.312723 0.010740
N 2.156749 2.295219 0.021656
C 0.612800 0.406994 0.008361
C 0.420866 -1.009898 0.002310
C -1.921493 0.722423 0.004073
C -2.120568 -0.687504 -0.002195
C -0.550676 1.312004 0.010296
C -0.955344 -1.614401 -0.004429
C 1.967165 0.938785 0.013198
C 1.521353 -1.896537 0.001823
C 3.078564 0.009606 0.008403
C 2.828299 -1.383245 0.004415
C -3.044113 1.586947 0.005022
C -3.434969 -1.216568 -0.006994
C -4.348780 1.054292 0.000045
C -4.545778 -0.350536 -0.005948
C 4.485548 0.464196 0.004926
H 1.322211 -2.971299 -0.002445
H 3.700799 -2.045979 0.002217
H -2.866147 2.666309 0.009932
H -3.555168 -2.304374 -0.011762
H -5.213144 1.726741 0.000907
H -5.561146 -0.760420 -0.009814
H 3.087291 2.704768 0.029701
H 1.298261 2.877248 0.022335
H 4.663589 1.568724 -0.003810


