%chk=000055153.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000055153

0 1
 O   -2.986300      0.8723000       1.554800    
 O    3.049100       1.964700      0.8732000    
 O   0.3588000       3.102200     -2.2100000E-02
 N    1.049300       1.107000      -1.010200    
 C    3.397500       1.258600     -0.3169000    
 C    2.367800       1.535200      -1.419200    
 C   -1.113600       1.271600     -4.0100001E-02
 C    3.473500     -0.2159000      1.3200000E-02
 C   -1.875100       1.699300       1.173600    
 C   -2.806800     -0.3246000     -0.5600000    
 C   -1.535600      0.3152000     -0.8701000    
 C   0.1574000       1.931100     -0.3451000    
 C   -3.469700     -1.4800000E-02  0.6322000    
 C    2.648700     -0.7315000      0.9983000    
 C    4.365900      -1.018100     -0.6770000    
 C   -3.366100      -1.263900      -1.434600    
 C   -4.675700     -0.6447000      0.9498000    
 C   -4.575700      -1.885000      -1.119100    
 C   -5.229300      -1.576100      7.2300002E-02
 C    2.718600      -2.090900       1.302500    
 C    4.435600      -2.377700     -0.3727000    
 C    3.611800      -2.914000      0.6171000    
 H    4.384800       1.620600     -0.6266000    
 H    2.617500      0.9990000      -2.340700    
 H    2.330900       2.608400      -1.635900    
 H   -1.201000       1.726200       2.037400    
 H   -2.261700       2.714800       1.028900    
 H   0.8431000      0.1263000      -1.166100    
 H   -1.042200      1.2200000E-02  -1.785600    
 H    1.938100     -0.1169000       1.542600    
 H    5.009500     -0.6092000      -1.450500    
 H   -2.868600      -1.523100      -2.366300    
 H   -5.190100     -0.4132000       1.878800    
 H    2.995600       2.909100      0.6474000    
 H   -5.005900      -2.612300      -1.801500    
 H   -6.168500      -2.062800      0.3186000    
 H    2.075700      -2.509300       2.071500    
 H    5.130600      -3.018900     -0.9069000    
 H    3.665500      -3.972700      0.8533000    


%chk=000055153-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000055153

0 1
O -2.764370 0.260144 1.637996
O 3.450362 2.369816 0.624751
O 0.738858 2.427313 0.596179
N 1.156792 0.953790 -1.157765
C 3.591131 1.388275 -0.438101
C 2.463966 1.545062 -1.512248
C -1.034247 0.936404 -0.035710
C 3.669384 -0.057073 0.069676
C -1.759811 1.291021 1.252711
C -3.055810 -0.273460 -0.750564
C -1.715394 0.243506 -1.005074
C 0.339411 1.478783 -0.178961
C -3.534915 -0.270924 0.597423
C 3.265927 -0.386648 1.384321
C 4.132336 -1.088696 -0.787325
C -3.862085 -0.868253 -1.757471
C -4.761702 -0.880098 0.932078
C -5.104244 -1.449950 -1.437210
C -5.545376 -1.460872 -0.089007
C 3.305712 -1.727794 1.830626
C 4.174810 -2.429567 -0.343493
C 3.755356 -2.754474 0.968419
H 4.543246 1.639072 -0.948272
H 2.784649 1.067162 -2.454376
H 2.329483 2.627209 -1.698576
H -1.068848 1.356461 2.105209
H -2.286179 2.262560 1.152752
H 0.912756 0.050638 -1.565342
H -1.272474 0.053467 -1.991082
H 2.950256 0.421001 2.052644
H 4.478919 -0.843947 -1.800926
H -3.500392 -0.874121 -2.793107
H -5.086444 -0.883363 1.976674
H 2.465587 2.554897 0.758011
H -5.722026 -1.899249 -2.220955
H -6.506085 -1.920416 0.167674
H 2.992650 -1.970117 2.852749
H 4.542112 -3.216388 -1.012642
H 3.790097 -3.792969 1.316616


