%chk=000033074.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000033074

0 1
 O    5.127800       1.522100      8.5100003E-02
 O   -4.988300       1.285900      0.2702000    
 O  -0.3223000      -3.001400     -0.2489000    
 N    2.847000     -0.1873000      8.2999997E-02
 N    1.688300     -0.7776000      0.4424000    
 C    3.962400     -0.3911000       1.012700    
 C    2.758300       1.217200     -0.3328000    
 C    5.263300      0.1421000      0.4227000    
 C    4.094600       1.703700     -0.8825000    
 C   0.9746000      -1.113400     -0.5742000    
 C   -1.562500     -0.9723000     -0.1660000    
 C  -0.3347000      -1.781600     -0.3226000    
 C   -1.476700      0.4048000     -0.2562000    
 C   -2.765600      -1.612900      6.6399999E-02
 C   -3.858200      0.5409000      0.1267000    
 C   -2.634700       1.168200     -0.1085000    
 C   -3.923600     -0.8496000      0.2141000    
 C   -4.849700       2.702300      0.1685000    
 H    4.081100      -1.458600       1.231600    
 H    3.746800      0.1219000       1.958700    
 H    2.467800       1.831500      0.5291000    
 H    1.994300       1.352600      -1.106600    
 H    6.068900      5.6600001E-02   1.158800    
 H    5.565400     -0.4249000     -0.4664000    
 H    4.363900       1.181700      -1.808900    
 H    4.036500       2.772800      -1.110400    
 H    1.233100     -0.9616000      -1.637000    
 H  -0.5426000      0.9248000     -0.4412000    
 H   -2.835600      -2.694400      0.1374000    
 H   -2.512900       2.243100     -0.1886000    
 H   -4.873900      -1.343600      0.3970000    
 H   -4.506700       3.002600     -0.8274000    
 H   -4.213200       3.102500      0.9650000    
 H   -5.845700       3.135300      0.3075000    


%chk=000033074-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000033074

0 1
O 5.479006 1.146497 0.084784
O -5.096873 0.903767 1.005700
O -0.643085 -2.108336 -2.453488
N 2.760177 0.339811 -0.355394
N 1.428733 0.093262 -0.530452
C 3.063801 1.635869 0.289363
C 3.839641 -0.243113 -1.190913
C 4.416675 1.565404 1.015021
C 5.177765 -0.197418 -0.423318
C 0.999541 -0.842718 -1.367722
C -1.579215 -0.585010 -0.838648
C -0.426145 -1.201176 -1.571372
C -1.464952 0.400491 0.177660
C -2.885384 -1.036398 -1.197335
C -3.895236 0.459484 0.442630
C -2.608612 0.922477 0.817868
C -4.028723 -0.526141 -0.571483
C -5.024072 1.921940 2.057739
H 2.244128 1.859391 0.992241
H 3.099006 2.440659 -0.475935
H 3.919088 0.310186 -2.151574
H 3.604171 -1.298008 -1.418535
H 4.715478 2.559455 1.383905
H 4.359436 0.852655 1.865666
H 5.144519 -0.919327 0.421076
H 6.011379 -0.457935 -1.095206
H 1.662022 -1.446061 -2.010222
H -0.471767 0.755349 0.460580
H -2.964665 -1.797491 -1.980304
H -2.487441 1.679949 1.598165
H -5.032563 -0.867007 -0.842184
H -4.562722 2.855492 1.681750
H -4.457415 1.553277 2.934527
H -6.068495 2.113025 2.344113


