%chk=000034404.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000034404

0 1
 O    1.109700      5.5700000E-02  0.7783000    
 O   0.4714000     -0.1049000      -1.459100    
 O    2.329200       3.862600      0.1223000    
 O   0.7457000       2.461500      0.7126000    
 O   -4.977200       2.419700     -0.2122000    
 O   -2.904000       1.811600     -0.6013000    
 N    2.820000      -2.041100      0.4060000    
 N    1.917400       2.697800      0.3349000    
 N   -4.098500       1.536100     -0.3419000    
 C    3.253500     -0.7865000      0.1802000    
 C    4.571800     -0.5196000     -0.2453000    
 C    2.394000      0.2929000      0.3654000    
 C    2.810000       1.607400      0.1405000    
 C    4.990500      0.8025000     -0.4715000    
 C    4.109700       1.863000     -0.2783000    
 C   -3.545600     -0.8590000     -0.3195000    
 C    5.437400      -1.605800     -0.4318000    
 C   -1.165300     -0.3831000      0.2889000    
 C   -2.134600     -0.5872000     -0.6225000    
 C   -4.470300      0.1702000     -0.1889000    
 C   0.2001000     -0.1327000     -0.2666000    
 C    4.993700      -2.899700     -0.2000000    
 C   -3.933200      -2.185200     -0.1647000    
 C    3.687200      -3.061600      0.2142000    
 C   -1.348400     -0.3397000       1.778500    
 C   -5.801500     -0.1305000      0.1002000    
 C   -5.264400      -2.485700      0.1245000    
 C   -6.198400      -1.458500      0.2570000    
 H    6.006000       1.012900     -0.7996000    
 H    4.475100       2.869200     -0.4649000    
 H    6.462700      -1.449200     -0.7591000    
 H   -1.916200     -0.5955000      -1.688600    
 H    5.649600      -3.751000     -0.3392000    
 H   -3.217700      -2.997600     -0.2650000    
 H    3.284600      -4.049900      0.4108000    
 H   -1.058600      0.6392000       2.174000    
 H  -0.7362000      -1.109200       2.260800    
 H   -2.384000     -0.5153000       2.083700    
 H   -6.560800      0.6394000      0.2117000    
 H   -5.573600      -3.519700      0.2467000    
 H   -7.234600      -1.693200      0.4823000    


%chk=000034404-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000034404

0 1
O 1.162602 0.322599 0.814810
O 0.444012 0.184628 -1.414553
O 3.272397 3.740046 1.739910
O 1.269891 3.035218 0.906244
O -5.745778 1.165558 -2.376726
O -3.543117 1.469778 -1.890195
N 2.492645 -1.884588 -0.195593
N 2.528848 2.877311 1.124176
N -4.670379 0.858466 -1.729307
C 3.204967 -0.704894 -0.054173
C 4.612317 -0.590748 -0.366695
C 2.498117 0.453135 0.432565
C 3.201136 1.652605 0.627125
C 5.289539 0.652684 -0.148509
C 4.600931 1.749987 0.354636
C -3.570382 -0.744543 -0.095049
C 5.267231 -1.758077 -0.878372
C -1.161912 -0.116329 0.433648
C -2.193306 -0.339423 -0.446084
C -4.745534 -0.247147 -0.737706
C 0.162248 0.128961 -0.205088
C 4.539185 -2.937310 -1.040432
C -3.772521 -1.777471 0.867066
C 3.153029 -2.953784 -0.675619
C -1.260778 -0.024497 1.940485
C -6.037518 -0.741699 -0.448715
C -5.055155 -2.273782 1.171963
C -6.195555 -1.757060 0.511877
H 6.356897 0.731922 -0.381262
H 5.095611 2.704965 0.548117
H 6.331404 -1.710011 -1.134547
H -1.954247 -0.248584 -1.512660
H 5.006178 -3.846167 -1.431441
H -2.893371 -2.217382 1.346793
H 2.568237 -3.874829 -0.781198
H -0.803550 0.918685 2.286675
H -0.701430 -0.841729 2.432167
H -2.307475 -0.051411 2.281320
H -6.891219 -0.312047 -0.978794
H -5.164054 -3.071476 1.914271
H -7.193939 -2.141259 0.742371


