%chk=000006822.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000006822

0 1
 O    2.965300       1.599300     -9.9999997E-05
 O    1.242600      -3.002200      3.0000001E-04
 O  -0.9469000      -2.843100      9.9999997E-05
 N   -2.068400     -0.6864000     -9.9999997E-05
 N   0.1915000      -2.321900     -9.9999997E-05
 C  -0.6917000       1.291400       0.000000    
 C  -0.8515000     -0.1101000     -9.9999997E-05
 C   0.2949000     -0.9000000     -3.0000001E-04
 C   0.5939000       1.859000      1.9999999E-04
 C    1.723100       1.045200      3.0000001E-04
 C    1.573000     -0.3359000     -9.9999997E-05
 C   -1.845200       2.087000      9.9999997E-05
 C   -3.100500       1.496200       0.000000    
 C   -3.156600      0.1173000     -9.9999997E-05
 C    4.076700      0.7039000     -9.9999997E-05
 H   0.7161000       2.940500      3.0000001E-04
 H    2.432800     -0.9962000     -3.0000001E-04
 H   -1.771800       3.172200      1.9999999E-04
 H   -4.002900       2.096200      9.9999997E-05
 H   -4.110100     -0.4005000     -9.9999997E-05
 H    4.983900       1.317000     -9.9999997E-05
 H    4.104300      9.5399998E-02 -0.9104000    
 H    4.104300      9.5399998E-02  0.9102000    


%chk=000006822-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000006822

0 1
O 2.969914 1.626413 0.000033
O 1.383021 -3.070039 0.001423
O -0.886665 -3.093708 0.000451
N -2.202776 -0.685099 -0.000307
N 0.228887 -2.466173 -0.000911
C -0.707463 1.299599 -0.000012
C -0.928812 -0.143069 -0.000288
C 0.258124 -0.966318 -0.000508
C 0.603682 1.846651 0.000083
C 1.722100 1.003163 -0.000067
C 1.543135 -0.408771 -0.000347
C -1.865964 2.150146 0.000190
C -3.137941 1.585457 0.000139
C -3.251524 0.157339 -0.000104
C 4.168622 0.773744 -0.000042
H 0.753879 2.931379 0.000295
H 2.386363 -1.102893 -0.000506
H -1.726255 3.237024 0.000391
H -4.040710 2.203387 0.000287
H -4.241462 -0.314563 -0.000135
H 5.012700 1.477274 0.000159
H 4.208042 0.139556 -0.905593
H 4.207904 0.139202 0.905268


