%chk=000055233.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000055233

0 1
 O   -3.314700      5.4600000E-02 -0.7781000    
 O   -7.332400       2.886300      0.5231000    
 N    1.322500     -0.6654000      0.4366000    
 N    4.105000     -0.1317000      7.3700003E-02
 C    2.328500      -1.643300      0.8694000    
 C    1.794000      3.8899999E-02 -0.7618000    
 C    3.654600     -0.9559000       1.202300    
 C    3.103200      0.7818000     -0.4842000    
 C   4.4599999E-02  -1.326300      0.1740000    
 C   -1.018000     -0.2964000     -0.1958000    
 C    5.462700      0.1995000      1.9000000E-03
 C   -2.367100     -0.9535000     -0.4541000    
 C    5.882700       1.544700      8.7000001E-03
 C    6.451000     -0.8019000     -7.8299999E-02
 C    7.236000       1.875100     -6.1999999E-02
 C    7.804300     -0.4715000     -0.1488000    
 C    8.196800      0.8671000     -0.1407000    
 C   -4.621700     -0.1967000     -0.4500000    
 C   -5.468300      0.8608000     -0.1385000    
 C   -5.086400      -1.506600     -0.4322000    
 C   -6.798100      0.6048000      0.1955000    
 C   -6.416300      -1.762700     -9.8300003E-02
 C   -7.272100     -0.7070000      0.2155000    
 C   -7.691000       1.705300      0.5224000    
 H    1.980500      -2.167700       1.767800    
 H    2.493200      -2.401100      9.1499999E-02
 H    1.936100     -0.6612000      -1.596100    
 H    1.098700      0.8137000      -1.093300    
 H    3.538400     -0.3198000       2.089300    
 H    4.386700      -1.731600       1.454800    
 H    2.919400       1.605900      0.2173000    
 H    3.457400       1.213200      -1.428900    
 H  -0.2840000      -1.857000       1.076500    
 H   0.1396000      -2.072700     -0.6256000    
 H  -0.7771000      0.2539000      -1.110200    
 H   -1.122600      0.4550000      0.5976000    
 H   -2.652000      -1.499200      0.4549000    
 H   -2.289300      -1.656300      -1.291900    
 H    5.164000       2.357100      8.2000002E-02
 H    6.168200      -1.852100     -9.8999999E-02
 H    7.542300       2.917100     -5.2900001E-02
 H    8.552400      -1.256100     -0.2130000    
 H    9.250600       1.124300     -0.1957000    
 H   -5.081100       1.876300     -0.1593000    
 H   -4.461400      -2.353700     -0.6976000    
 H   -6.787500      -2.783400     -8.9000002E-02
 H   -8.306200     -0.9224000      0.4721000    
 H   -8.731000       1.440200      0.7779000    


%chk=000055233-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000055233

0 1
O -3.416688 0.134752 0.105936
O -7.721578 2.963769 -0.129271
N 1.427997 -0.748093 0.404831
N 4.243666 -0.145176 0.011647
C 2.461376 -1.807483 0.517375
C 1.866623 0.261836 -0.589164
C 3.805038 -1.202169 0.952446
C 3.213542 0.891192 -0.188221
C 0.091682 -1.319186 0.109742
C -1.044210 -0.279864 0.221662
C 5.616549 0.208861 -0.059603
C -2.417508 -0.950375 0.142408
C 6.035055 1.560974 -0.253207
C 6.634413 -0.791842 0.019269
C 7.403109 1.886624 -0.375401
C 7.996381 -0.452557 -0.093222
C 8.399513 0.889186 -0.295032
C -4.770196 -0.214220 0.024464
C -5.677049 0.867643 -0.020213
C -5.253464 -1.551208 -0.014128
C -7.066351 0.615861 -0.104008
C -6.644928 -1.791212 -0.097421
C -7.556704 -0.718581 -0.142810
C -8.033240 1.743557 -0.154022
H 2.134645 -2.542355 1.276962
H 2.602123 -2.347972 -0.453863
H 1.969446 -0.195157 -1.607540
H 1.114904 1.067565 -0.650481
H 3.689785 -0.779884 1.977180
H 4.559324 -2.002157 1.001033
H 3.069124 1.503819 0.732144
H 3.529109 1.563046 -1.004776
H -0.084780 -2.129173 0.846045
H 0.061199 -1.793197 -0.907985
H -0.982895 0.465803 -0.591572
H -0.946978 0.262543 1.179021
H -2.601241 -1.596106 1.026547
H -2.507898 -1.568543 -0.776373
H 5.300396 2.370501 -0.285721
H 6.363527 -1.845760 0.138818
H 7.688608 2.935244 -0.520869
H 8.749337 -1.247475 -0.034923
H 9.459695 1.147222 -0.385093
H -5.310776 1.898716 0.008747
H -4.564133 -2.399801 0.020462
H -7.007878 -2.824238 -0.126053
H -8.635500 -0.903122 -0.207670
H -9.107069 1.430591 -0.218596


