%chk=000005910.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000005910

0 1
 O   -2.077300       1.828100      0.2928000    
 O   -3.846100      0.6046000       1.083200    
 N    2.711000     -0.7151000      0.4821000    
 N    3.901100      0.9564000     -0.3677000    
 C  -0.4831000      0.1312000      0.1415000    
 C   -1.857000     -0.5212000      0.2559000    
 C   0.5350000     -0.5651000     -0.7440000    
 C  -0.8200000       1.531700     -0.3238000    
 C   -2.391300      -1.184900      -1.004900    
 C   -2.721300      0.6636000      0.6100000    
 C    1.933400     -0.1059000     -0.4379000    
 C   -3.829300      -1.645000     -0.8317000    
 C    2.661200      0.9138000     -0.9546000    
 C    3.898400     -3.7300002E-02  0.4929000    
 C    2.385200      -1.855000       1.306100    
 H  -9.1200002E-02  0.2110000       1.166900    
 H   -1.855200      -1.226500       1.095200    
 H   0.3223000     -0.3854000      -1.805400    
 H   0.4749000      -1.650900     -0.6039000    
 H  -7.9099998E-02   2.264900      8.6000003E-03
 H  -0.9396000       1.616200      -1.409200    
 H   -1.775600      -2.058000      -1.249000    
 H   -2.341000     -0.5054000      -1.864200    
 H   -3.963100      -2.210900      9.5700003E-02
 H   -4.533700     -0.8086000     -0.8445000    
 H   -4.107400      -2.301100      -1.663800    
 H    2.376800       1.626500      -1.714800    
 H    4.720200     -0.3091000       1.141600    
 H    3.195100      -2.031000       2.018800    
 H    1.460800      -1.645900       1.849400    
 H    2.267700      -2.727300      0.6586000    


%chk=000005910-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000005910

0 1
O -1.983506 1.769545 0.627060
O -3.926592 0.647043 1.219063
N 2.797166 -0.589477 0.506830
N 3.903905 0.864004 -0.844254
C -0.509845 -0.111602 0.295447
C -1.984073 -0.616486 0.236785
C 0.504134 -0.800164 -0.654945
C -0.662709 1.407429 0.032020
C -2.497311 -1.024768 -1.178907
C -2.774312 0.600312 0.760277
C 1.905155 -0.260825 -0.536348
C -3.949053 -1.549200 -1.171261
C 2.615633 0.631800 -1.349582
C 3.980266 0.113813 0.270619
C 2.551283 -1.504451 1.626973
H -0.162002 -0.234772 1.340762
H -2.160219 -1.465256 0.922009
H 0.180324 -0.658418 -1.701527
H 0.484543 -1.893486 -0.468480
H 0.096954 2.031381 0.524225
H -0.694998 1.646114 -1.047664
H -1.830629 -1.816589 -1.571606
H -2.413790 -0.165458 -1.873977
H -4.040924 -2.448467 -0.533878
H -4.651282 -0.793947 -0.780229
H -4.266857 -1.823957 -2.193182
H 2.279657 1.109006 -2.268362
H 4.845882 0.040269 0.925867
H 3.508276 -1.725727 2.126126
H 1.864319 -1.062815 2.371335
H 2.122404 -2.456450 1.268704


