%chk=000078171.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000078171

0 1
 O   -6.083400      0.2000000     -0.1682000    
 O    3.104400       1.530700      0.1818000    
 O    5.253900      0.5257000      -1.519500    
 N   -3.281000     -5.0000002E-04 -9.5200002E-02
 N    2.257900     -0.6346000      0.5497000    
 C   -3.983100      0.9245000      0.8050000    
 C   -4.090500      -1.114000     -0.6019000    
 C   -5.307300       1.346700      0.1788000    
 C   -5.409400     -0.5832000      -1.152600    
 C   -1.900700     -0.1584000      6.6200003E-02
 C   -1.024100      0.9373000     -6.6000000E-02
 C   -1.343900      -1.418200      0.3648000    
 C   0.8812000     -0.4770000      0.3886000    
 C   0.3528000      0.7797000      9.3400002E-02
 C   3.2900002E-02  -1.575900      0.5245000    
 C    3.257400      0.3427000      0.4536000    
 C    4.648700     -0.2120000      0.6935000    
 C    5.606000      1.6100001E-02 -0.4567000    
 C    7.028200     -0.4296000     -0.2397000    
 H   -3.392000       1.821700       1.018300    
 H   -4.169100      0.4103000       1.756200    
 H   -4.295000      -1.812800      0.2187000    
 H   -3.568100      -1.654000      -1.400300    
 H   -5.885800       1.940400      0.8935000    
 H   -5.148500       1.963400     -0.7141000    
 H   -5.251400      2.1700000E-02  -2.053700    
 H   -6.063300      -1.417900      -1.424700    
 H   -1.413800       1.923900     -0.3078000    
 H   -1.974700      -2.294800      0.4900000    
 H   0.9435000       1.676700     -2.8200001E-02
 H   0.4308000      -2.560400      0.7574000    
 H    2.557300      -1.582100      0.7680000    
 H    4.614400      -1.288200      0.8909000    
 H    5.048000      0.2867000       1.583400    
 H    7.453700      0.1049000      0.6131000    
 H    7.624500     -0.2065000      -1.128800    
 H    7.050800      -1.507100     -5.9599999E-02


%chk=000078171-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000078171

0 1
O -6.155393 0.057534 -0.231083
O 3.082023 1.798578 1.236119
O 4.508939 -1.895008 -0.442493
N -3.253929 0.078893 -0.151296
N 2.424285 -0.316579 0.425177
C -4.060673 0.769259 0.887067
C -3.983799 -1.037301 -0.786764
C -5.418668 1.207662 0.317297
C -5.354303 -0.557455 -1.299318
C -1.846438 -0.024665 0.021833
C -1.087248 1.074333 0.523645
C -1.126385 -1.204014 -0.333645
C 1.011747 -0.168569 0.304888
C 0.309225 1.011707 0.669588
C 0.273294 -1.267338 -0.201381
C 3.343696 0.613624 0.860357
C 4.809271 0.108696 0.932933
C 5.275150 -0.963271 -0.052305
C 6.709338 -0.870299 -0.535798
H -3.522948 1.655893 1.258642
H -4.233011 0.089594 1.753512
H -4.127982 -1.887267 -0.078407
H -3.405939 -1.406664 -1.652851
H -6.062480 1.621093 1.110820
H -5.267286 1.969013 -0.478587
H -5.204647 0.176288 -2.121211
H -5.951556 -1.408060 -1.667151
H -1.586802 2.013617 0.781442
H -1.652694 -2.090688 -0.697334
H 0.867928 1.869909 1.048062
H 0.796223 -2.190180 -0.483039
H 2.835525 -1.212075 0.106973
H 4.952698 -0.307580 1.953810
H 5.454948 1.000419 0.874558
H 6.815365 0.003714 -1.207987
H 6.992117 -1.781698 -1.084034
H 7.401708 -0.705217 0.310360


