%chk=000005874.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000005874

0 1
 O    4.050100       1.027300       1.751400    
 O   -2.617400       2.710000     -0.4606000    
 O   -4.785200       1.477400       1.393500    
 N    1.209300     -0.3468000     -6.2000002E-03
 N   -2.428700      0.3662000     -0.4975000    
 C    4.064500      0.2728000      0.5305000    
 C    3.434100      -1.117400      0.7776000    
 C    3.199100       1.029300     -0.5018000    
 C    1.926800      -1.058100       1.056500    
 C    1.706300       1.025600     -0.1521000    
 C  -0.2294000     -0.3459000      0.2577000    
 C    5.541000      0.1329000      0.1560000    
 C   -1.028300      0.3378000     -0.8592000    
 C  -0.8598000     -0.3357000      -2.219100    
 C    6.008900      0.6705000      -1.042100    
 C    6.416200     -0.5320000       1.013400    
 C   -3.140900     -0.8953000     -0.3072000    
 C    7.355200      0.5426000      -1.383700    
 C    7.762500     -0.6597000      0.6718000    
 C   -3.134700       1.600000     -0.3214000    
 C    8.232100     -0.1224000     -0.5267000    
 C   -3.751000      -1.446800      -1.394200    
 C   -3.147500      -1.433700      0.9451000    
 C   -4.542800       1.497300      7.7000000E-02
 C   -4.431900      -2.650500      -1.211700    
 C   -3.828300      -2.637300       1.127500    
 C   -5.655300       1.418300     -0.6777000    
 C   -4.470500      -3.245800      4.9100000E-02
 C   -6.717700       1.339800      0.2541000    
 C   -6.136500       1.379700       1.500000    
 H    3.901500      -1.611100       1.638300    
 H    3.607300      -1.761600     -9.5500000E-02
 H    3.303800      0.5734000      -1.495600    
 H    3.523500       2.075500     -0.5756000    
 H    1.559700      -2.090000       1.122600    
 H    1.744400     -0.5945000       2.034500    
 H    1.520000       1.618500      0.7519000    
 H    1.230400       1.548000     -0.9860000    
 H  -0.4442000      0.1413000       1.218900    
 H  -0.5426000      -1.392500      0.3476000    
 H  -0.7262000       1.381600     -0.9667000    
 H    3.142200       1.065000       2.092000    
 H   -1.047200      -1.413700      -2.176600    
 H   -1.534600      0.1012000      -2.963800    
 H   0.1612000     -0.2037000      -2.593300    
 H    5.373400       1.204100      -1.739800    
 H    6.075900     -0.9472000       1.957600    
 H    7.722100      0.9626000      -2.315700    
 H    8.446200      -1.174900       1.340400    
 H    9.280700     -0.2207000     -0.7920000    
 H   -3.733600     -0.9822000      -2.374200    
 H   -2.661500     -0.9577000       1.790000    
 H   -4.934600      -3.122600      -2.050800    
 H   -3.861400      -3.098800       2.110100    
 H   -5.724700       1.415400      -1.755900    
 H   -5.001900      -4.182200      0.1915000    
 H   -7.774700       1.263200      4.3900002E-02
 H   -6.524800       1.349000       2.507600    


%chk=000005874-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000005874

0 1
O 4.155267 0.826191 2.109704
O -1.878657 2.119287 -0.618378
O -5.037079 0.731527 0.596600
N 1.259065 -0.453587 0.279305
N -2.422147 -0.153262 -0.552568
C 4.092441 0.333429 0.710327
C 3.608452 -1.147376 0.712630
C 3.084838 1.203193 -0.097379
C 2.134870 -1.277437 1.145535
C 1.630662 0.980388 0.362946
C -0.188187 -0.680297 0.489322
C 5.514943 0.448400 0.151602
C -0.978792 -0.462401 -0.837040
C -0.796815 -1.634204 -1.813405
C 5.790141 0.045273 -1.181225
C 6.576177 0.949120 0.944859
C -3.381122 -1.235995 -0.498737
C 7.095668 0.141236 -1.710080
C 7.883928 1.044793 0.415848
C -2.746135 1.200927 -0.413025
C 8.150829 0.642272 -0.912180
C -4.303944 -1.412712 -1.557050
C -3.371388 -2.144172 0.586452
C -4.108269 1.617238 -0.004768
C -5.222936 -2.484057 -1.521647
C -4.282844 -3.222201 0.612860
C -4.660761 2.894007 -0.047804
C -5.212861 -3.394193 -0.438828
C -5.979988 2.813862 0.528041
C -6.170240 1.493487 0.909533
H 4.258741 -1.727042 1.392977
H 3.713965 -1.567270 -0.304315
H 3.157334 0.947222 -1.169536
H 3.362576 2.267029 0.018487
H 1.821379 -2.334446 1.066276
H 2.031271 -0.991081 2.228167
H 1.492072 1.360187 1.415075
H 0.941754 1.577996 -0.259138
H -0.606150 -0.003883 1.273511
H -0.333494 -1.722296 0.834153
H -0.585725 0.457791 -1.303018
H 3.230368 0.896737 2.457709
H -1.224510 -2.575224 -1.423550
H -1.263359 -1.421508 -2.791448
H 0.287137 -1.778296 -1.964744
H 4.985475 -0.346182 -1.815945
H 6.359839 1.257800 1.970373
H 7.289203 -0.173537 -2.741995
H 8.694380 1.434358 1.042914
H 9.164837 0.717440 -1.321251
H -4.295732 -0.709914 -2.397318
H -2.671667 -1.989717 1.414316
H -5.938647 -2.612952 -2.341199
H -4.274336 -3.920352 1.457375
H -4.154431 3.771518 -0.442385
H -5.921707 -4.229256 -0.415434
H -6.692969 3.626931 0.648027
H -6.982218 0.950709 1.385864


