%chk=000057753.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000057753

0 1
 O    5.822000      -2.546000      -1.290200    
 O    2.697600       1.188700       2.953800    
 O    1.370700       1.418000      0.4869000    
 O    1.073900       2.990600      -1.167800    
 N    4.043900     -0.9003000      0.2037000    
 N   -4.699200      0.1934000     -0.6458000    
 C    3.317000     -0.5508000       1.422400    
 C    3.637300      -2.225400     -0.2845000    
 C    5.494700     -0.8725000      0.4354000    
 C    3.377900      0.9495000       1.718500    
 C    4.417800      -2.573600      -1.548900    
 C    6.230900      -1.251700     -0.8463000    
 C    2.733300       1.806300      0.6311000    
 C   -6.668500      -1.103300     -4.2700000E-02
 C   -5.181300     -0.8568000      0.1967000    
 C   -7.241300      -2.189300      0.8715000    
 C   0.6548000       2.094700     -0.4516000    
 C  -0.7438000       1.598600     -0.5020000    
 C   -3.371200      0.6660000     -0.5970000    
 C   -1.651400       2.160800      -1.399900    
 C   -1.150000      0.5701000      0.3482000    
 C   -2.965100       1.694400      -1.447400    
 C   -2.463700      0.1039000      0.3007000    
 C   -8.736400      -2.365500      0.6552000    
 H    2.259800     -0.8363000       1.331800    
 H    3.685300      -1.122500       2.285600    
 H    3.825400      -2.986900      0.4835000    
 H    2.566500      -2.234300     -0.5182000    
 H    5.833900      0.1241000      0.7337000    
 H    5.768000      -1.577400       1.231500    
 H    4.408900       1.285500       1.867200    
 H    4.183400      -1.886400      -2.371100    
 H    4.160200      -3.585000      -1.879100    
 H    7.308900      -1.289800     -0.6598000    
 H    6.058200     -0.5192000      -1.644300    
 H    2.762100       2.859500      0.9354000    
 H    3.259700       1.692800     -0.3231000    
 H    3.154300      0.6780000       3.643800    
 H   -7.220500     -0.1676000      0.1155000    
 H   -6.829600      -1.384800      -1.091300    
 H   -5.041700     -0.5925000       1.252200    
 H   -4.632900      -1.786300      1.1000000E-03
 H   -7.059500      -1.926700       1.920100    
 H   -6.731500      -3.140800      0.6813000    
 H   -5.322200      0.6249000      -1.319700    
 H   -1.354600       2.962600      -2.070700    
 H  -0.4764000      0.1034000       1.061400    
 H   -3.662700       2.140600      -2.151600    
 H   -2.736800     -0.6995000      0.9782000    
 H   -9.276300      -1.438200      0.8719000    
 H   -9.125000      -3.147100       1.315400    
 H   -8.951500      -2.655400     -0.3782000    


%chk=000057753-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000057753

0 1
O 5.466861 -1.669516 -2.116512
O 3.025835 0.933959 3.486595
O 1.418994 1.404597 1.038253
O 1.692422 1.607728 -1.284376
N 4.116542 -0.715492 0.251958
N -4.466884 -0.422426 -0.741269
C 3.485811 -0.601415 1.577282
C 3.415777 -1.587224 -0.720195
C 5.570376 -0.992488 0.271112
C 3.573219 0.846192 2.120608
C 4.020043 -1.373690 -2.117352
C 6.149765 -0.803605 -1.143202
C 2.814621 1.852836 1.256217
C -6.738905 -1.203814 -0.135030
C -5.361026 -0.742237 0.378057
C -7.718568 -1.524883 1.016246
C 0.965423 1.325380 -0.293967
C -0.439920 0.871509 -0.364257
C -3.153249 0.000729 -0.602659
C -1.045599 0.724144 -1.644892
C -1.211598 0.580048 0.792727
C -2.372079 0.297229 -1.766501
C -2.544435 0.152892 0.683330
C -9.094889 -2.003483 0.507302
H 2.416496 -0.868258 1.504971
H 3.947015 -1.295671 2.326418
H 3.498089 -2.668782 -0.445393
H 2.345307 -1.314639 -0.744726
H 6.074229 -0.294265 0.966646
H 5.784552 -2.035762 0.618159
H 4.638419 1.173877 2.123332
H 3.846788 -0.323137 -2.430834
H 3.581528 -2.065274 -2.855472
H 7.212569 -1.096210 -1.182263
H 6.040050 0.260352 -1.445151
H 2.758602 2.822742 1.779035
H 3.313159 1.955787 0.277650
H 3.440323 0.225589 4.042811
H -7.177122 -0.412070 -0.777489
H -6.612324 -2.104134 -0.770665
H -5.488819 0.146673 1.033114
H -4.914281 -1.543324 1.005116
H -7.848520 -0.622898 1.647386
H -7.273316 -2.302885 1.668750
H -4.848185 -0.501748 -1.684276
H -0.448174 0.955855 -2.533148
H -0.750266 0.699853 1.777399
H -2.824744 0.188844 -2.760366
H -3.117039 -0.061645 1.590407
H -9.577289 -1.231212 -0.120825
H -9.777096 -2.230034 1.346433
H -8.995188 -2.920093 -0.103995


