%chk=000125272.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000125272

0 1
 O    3.432300      -2.614300      0.7434000    
 O    5.586600      -1.865700     -0.8444000    
 O   -5.085400      -3.630500     -0.3524000    
 N  -0.2097000       3.191500      0.3644000    
 C   -1.309400       3.342400     -0.5889000    
 C   -2.042400       2.004300     -0.7984000    
 C   -2.637900       1.385000      0.4752000    
 C   0.7256000       2.173100     -8.6000003E-02
 C   -2.280900       4.409900     -8.4500000E-02
 C    1.876900       2.009200      0.9069000    
 C   -3.291900      4.4399999E-02  0.2538000    
 C    2.866500      0.9713000      0.4405000    
 C   -2.535100      -1.110800      0.3782000    
 C   -4.638800     -1.0500000E-02 -7.0200004E-02
 C    2.689600     -0.3530000      0.8115000    
 C    3.937000       1.358600     -0.3511000    
 C    3.605300      -1.313000      0.3805000    
 C   -3.140100      -2.351000      0.1735000    
 C   -5.243800      -1.250600     -0.2747000    
 C    4.852600      0.3988000     -0.7821000    
 C   -4.494400      -2.420900     -0.1530000    
 C    4.686700     -0.9370000     -0.4164000    
 C    2.650700      -3.431400     -0.1260000    
 H  -0.9154000       3.678800      -1.556700    
 H   -2.868800       2.182800      -1.502000    
 H   -1.411200       1.277500      -1.322900    
 H   -1.864800       1.268800       1.245000    
 H   -3.381000       2.062400      0.9133000    
 H   0.2734000       4.082300      0.4768000    
 H    1.125100       2.434200      -1.074400    
 H   0.2543000       1.189200     -0.1675000    
 H   -3.149100       4.494600     -0.7468000    
 H   -1.791100       5.390300     -5.7300001E-02
 H   -2.642600       4.200700      0.9277000    
 H    1.489900       1.729300       1.895900    
 H    2.395500       2.966500       1.051100    
 H   -1.479100      -1.066200      0.6294000    
 H   -5.230100      0.8953000     -0.1695000    
 H    1.846700     -0.6487000       1.430800    
 H    4.073500       2.396100     -0.6427000    
 H   -2.550800      -3.258900      0.2691000    
 H   -6.299600      -1.291400     -0.5289000    
 H    5.690100      0.7053000      -1.403100    
 H    6.264500      -1.424400      -1.384500    
 H   -6.023200      -3.491200     -0.5693000    
 H    1.629200      -3.044500     -0.1998000    
 H    2.612900      -4.440300      0.2940000    
 H    3.105900      -3.482800      -1.120000    


%chk=000125272-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000125272

0 1
O 3.652816 -2.739172 0.614916
O 6.003299 -1.791028 -0.787795
O -5.644458 -3.535577 -0.151663
N -0.311126 2.940268 0.307805
C -1.400189 3.246261 -0.658380
C -2.351828 2.028829 -0.826925
C -3.071729 1.600436 0.481234
C 0.753690 2.035511 -0.172478
C -2.144931 4.512086 -0.184800
C 1.839737 1.848579 0.917372
C -3.779929 0.262314 0.339224
C 2.949232 0.908141 0.472858
C -3.064294 -0.958002 0.480558
C -5.159788 0.184286 0.026093
C 2.845079 -0.486457 0.693232
C 4.089648 1.392907 -0.214087
C 3.838289 -1.393058 0.259526
C -3.692563 -2.208212 0.315228
C -5.809546 -1.059561 -0.144397
C 5.095259 0.504714 -0.652032
C -5.069846 -2.256779 0.000031
C 4.988015 -0.883413 -0.410991
C 3.901211 -3.774118 -0.410522
H -0.975085 3.460250 -1.673658
H -3.099230 2.269255 -1.609556
H -1.773949 1.165833 -1.211585
H -2.304583 1.558247 1.277700
H -3.800864 2.380221 0.772698
H 0.090110 3.805442 0.697535
H 1.238262 2.398079 -1.114535
H 0.311909 1.048687 -0.407626
H -3.008627 4.726324 -0.839096
H -1.477952 5.395375 -0.205881
H -2.511978 4.386235 0.849222
H 1.343818 1.471059 1.830545
H 2.265394 2.841987 1.167439
H -1.997099 -0.927364 0.734294
H -5.739276 1.109325 -0.083319
H 1.982385 -0.908347 1.220986
H 4.199241 2.467485 -0.400424
H -3.142249 -3.146875 0.430847
H -6.881060 -1.093732 -0.383518
H 5.983336 0.893785 -1.169145
H 6.763780 -1.302561 -1.189910
H -6.607277 -3.461080 -0.366168
H 3.251692 -3.606842 -1.291714
H 3.629195 -4.721938 0.078466
H 4.958258 -3.782305 -0.720107


