%chk=000053492.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000053492

0 1
 O   -2.580500      -2.249400     -0.7548000    
 O    2.880500     -0.5704000       1.392600    
 O    4.834200       1.113900       2.431200    
 O   -3.857500       1.952000      0.5764000    
 O   -5.564500      0.7462000     -0.3659000    
 N    4.336300       1.278100      -1.234200    
 C  -0.2423000      -1.939500      1.7000000E-03
 C   0.6409000      -1.015200      0.6091000    
 C    4.931600      0.6401000       1.085000    
 C   -1.573900      -1.519300     -0.1906000    
 C   -2.048700     -0.2651000      0.1813000    
 C    4.315900       1.694000      0.1616000    
 C    4.240900     -0.7190000      0.9967000    
 C    1.972500      -1.409100      0.8115000    
 C    3.694500       2.272400      -2.083400    
 C   -3.421400     -0.2446000     -0.1817000    
 C   0.1743000      0.2543000      0.9895000    
 C   -1.159100      0.6409000      0.7833000    
 C   -3.691900      -1.469700     -0.7441000    
 C   0.1976000      -3.217200     -0.3893000    
 C    2.409200      -2.679500      0.4226000    
 C    1.525800      -3.579000     -0.1750000    
 C    3.779400       1.827300      -3.539900    
 C    2.243800       2.476100      -1.656000    
 C   -4.906200      -2.074500      -1.312500    
 C   -4.372800      0.8156000     -1.5900001E-02
 C   -4.754600       3.051000      0.7719000    
 C   -4.003800       4.189500       1.429000    
 H    5.996400      0.5143000      0.8551000    
 H    3.302800       1.880900      0.5314000    
 H    4.863500       2.637400      0.2860000    
 H    4.720900      -1.412300       1.697600    
 H    4.349700      -1.101300     -2.5500000E-02
 H    4.224500       3.230100      -2.001800    
 H    5.299200       1.129600      -1.534600    
 H   0.8435000      0.9752000       1.456300    
 H   -1.468800       1.633300       1.094700    
 H  -0.4799000      -3.928500     -0.8540000    
 H    3.421700      -3.030400      0.6000000    
 H    1.871800      -4.566800     -0.4657000    
 H    4.821500       1.698800      -3.853100    
 H    3.326200       2.574000      -4.201000    
 H    3.258000      0.8766000      -3.699900    
 H    1.701200       3.047600      -2.418500    
 H    1.717600       1.522500      -1.535100    
 H    2.152700       3.050800     -0.7293000    
 H   -5.700200      -2.124700     -0.5609000    
 H   -5.269200      -1.486500      -2.161000    
 H   -4.718000      -3.092700      -1.667800    
 H    5.317100       1.956500       2.480600    
 H   -5.583700       2.733400       1.413600    
 H   -5.147800       3.375800     -0.1976000    
 H   -4.660600       5.048100       1.593600    
 H   -3.588100       3.872100       2.391000    
 H   -3.159400       4.503800      0.8066000    


%chk=000053492-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000053492

0 1
O -2.967992 -2.368314 -0.491627
O 2.675452 -0.273748 0.753839
O 4.523260 1.009945 2.602657
O -4.167123 1.934114 0.793504
O -6.031186 0.670875 0.187419
N 5.010714 1.663724 -1.093815
C -0.521264 -1.966114 -0.098363
C 0.419937 -0.952343 0.330887
C 4.851913 0.718845 1.199010
C -1.877911 -1.547797 -0.107366
C -2.343267 -0.271402 0.262051
C 4.509142 1.908596 0.270262
C 4.115908 -0.561873 0.816996
C 1.819265 -1.303644 0.356548
C 4.280499 2.318745 -2.216760
C -3.797435 -0.305476 0.096851
C -0.039535 0.355960 0.718460
C -1.390754 0.706814 0.690191
C -4.131866 -1.585068 -0.357736
C -0.073690 -3.273169 -0.471049
C 2.245630 -2.591503 -0.004486
C 1.289410 -3.568529 -0.415926
C 5.177770 2.282263 -3.470739
C 2.936595 1.605395 -2.482282
C -5.416866 -2.249440 -0.711128
C -4.782605 0.756371 0.343784
C -5.090300 3.073473 1.077985
C -4.218858 4.247147 1.514535
H 5.941454 0.498703 1.105159
H 3.412821 2.017348 0.243166
H 4.920624 2.844861 0.728318
H 4.307069 -1.344960 1.576267
H 4.475616 -0.887321 -0.178335
H 4.065192 3.390470 -1.977217
H 6.024853 1.818676 -1.166378
H 0.710505 1.076564 1.055436
H -1.731706 1.699521 0.989830
H -0.803978 -4.022038 -0.790260
H 3.304301 -2.861813 0.022009
H 1.643623 -4.567167 -0.694124
H 6.119112 2.844064 -3.313321
H 4.656454 2.730288 -4.334628
H 5.433350 1.236477 -3.723280
H 2.371567 2.130063 -3.274992
H 3.120172 0.564394 -2.804147
H 2.300956 1.568558 -1.580053
H -5.581094 -3.146326 -0.085442
H -6.244418 -1.541112 -0.556457
H -5.411958 -2.580910 -1.766192
H 4.851638 1.917606 2.827885
H -5.800590 2.758102 1.863707
H -5.668506 3.291952 0.161966
H -4.855814 5.122266 1.738684
H -3.643442 3.995955 2.422202
H -3.509845 4.529435 0.717294


