%chk=000072379.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000072379

0 1
 O   -1.314100       2.026900      -1.518700    
 O   -3.283600       2.572600       1.434500    
 O    3.713900       1.694500      0.2779000    
 O    4.431900     -0.9445000     -0.1909000    
 N   -1.591000      -1.917900      0.2112000    
 C   -1.890100     -0.6102000     -0.3681000    
 C   -1.061300      0.4591000      0.3404000    
 C   -3.350800     -0.4628000     -0.1529000    
 C   -1.573200       1.845000     -0.1254000    
 C   -2.713700      -2.757800     -0.2192000    
 C   -3.945700      -1.836900     -7.1900003E-02
 C   0.4101000      0.1120000      0.1584000    
 C  -0.2614000      -2.347000     -0.2177000    
 C   -3.100900       2.003500      0.1353000    
 C   0.7830000      -1.244500     -5.3599998E-02
 C   -3.915500      0.7278000      8.1299998E-02
 C    1.413400       1.081800      0.2812000    
 C    2.138600      -1.579400     -0.1782000    
 C    2.758700      0.7290000      0.1615000    
 C    3.120300     -0.5961000     -7.0100002E-02
 C    4.113800       2.357200     -0.9196000    
 C    5.117300      -1.312300       1.004400    
 H   -1.701400     -0.6207000      -1.453400    
 H   -1.240800      0.4034000       1.426200    
 H   -1.034600       2.639700      0.4021000    
 H   -2.810400      -3.656100      0.3985000    
 H   -2.610300      -3.067100      -1.267500    
 H   -4.423600      -1.987000      0.9021000    
 H   -4.666800      -2.019400     -0.8737000    
 H  -0.2654000      -2.643700      -1.274800    
 H   3.7500001E-02  -3.215300      0.3807000    
 H   -3.518400       2.712300     -0.5898000    
 H   -4.979400      0.7896000      0.2904000    
 H    1.158400       2.119200      0.4789000    
 H    2.427600      -2.611600     -0.3624000    
 H   -1.948800       1.491400      -2.023000    
 H   -4.232600       2.751800       1.550400    
 H    3.264300       2.880300      -1.370300    
 H    4.536800       1.642900      -1.633000    
 H    4.881700       3.092500     -0.6642000    
 H    6.151600      -1.554700      0.7455000    
 H    4.653500      -2.194900       1.456300    
 H    5.120700     -0.4824000       1.718100    


%chk=000072379-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000072379

0 1
O -1.404541 2.157921 -1.509273
O -3.144274 2.444698 1.702192
O 3.673922 1.755714 0.268796
O 4.422294 -1.047952 -0.155160
N -1.697391 -1.960877 0.094821
C -1.987513 -0.601176 -0.392248
C -1.147070 0.444748 0.337042
C -3.469959 -0.451580 -0.155837
C -1.642296 1.849653 -0.088055
C -2.841356 -2.791029 -0.364530
C -4.078353 -1.854341 -0.166170
C 0.326982 0.092325 0.156091
C -0.338789 -2.388679 -0.278372
C -3.150150 2.015787 0.272072
C 0.692345 -1.268518 -0.076451
C -4.007572 0.764625 0.108767
C 1.344911 1.069413 0.255174
C 2.062901 -1.607898 -0.160805
C 2.705878 0.728345 0.146509
C 3.073160 -0.635527 -0.034762
C 4.458707 1.999289 -0.964170
C 5.252722 -0.801140 1.047103
H -1.777052 -0.539418 -1.502784
H -1.401086 0.357426 1.413970
H -1.102884 2.644358 0.451161
H -2.913023 -3.725294 0.218895
H -2.740250 -3.066024 -1.446054
H -4.577839 -2.058887 0.797812
H -4.828599 -1.996613 -0.965315
H -0.300052 -2.705437 -1.356416
H -0.053178 -3.273386 0.321977
H -3.546345 2.848614 -0.344848
H -5.086209 0.882365 0.291900
H 1.096439 2.125730 0.394846
H 2.375047 -2.647076 -0.317615
H -1.747820 1.413395 -2.066639
H -4.055721 2.336423 2.075932
H 3.793316 2.358970 -1.771792
H 4.980634 1.080460 -1.288561
H 5.185125 2.783154 -0.700196
H 6.268310 -1.125565 0.772985
H 4.880097 -1.406237 1.895594
H 5.245833 0.269440 1.319313


