%chk=000030984.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000030984

0 1
 O   -2.620900      0.8892000      -2.143100    
 O    1.145300      0.2828000     -0.2580000    
 O  -1.3400000E-02   1.724500       1.126100    
 N    4.810300      0.6542000     -8.2900003E-02
 C   -1.196300      0.1593000     -0.2802000    
 C   -2.465400      0.8234000      0.1611000    
 C   -1.257200      0.5609000      -1.781600    
 C   -1.221700      -1.342800     -5.2000000E-03
 C   -3.218400       1.186800     -0.9472000    
 C   2.4100000E-02  0.8288000      0.2934000    
 C   -2.952700       1.046100       1.440600    
 C  -0.7527000      -1.835800       1.211900    
 C   -1.713300      -2.219300     -0.9716000    
 C   -4.466500       1.769400     -0.8302000    
 C    2.385400      0.8303000      0.2009000    
 C    3.526100      0.1166000     -0.5068000    
 C   -4.206900       1.645700       1.582600    
 C   -4.959700       2.003700      0.4537000    
 C  -0.7758000      -3.207800       1.462800    
 C   -1.736400      -3.591200     -0.7205000    
 C    4.983700      0.5024000       1.363900    
 C    5.908200     -4.0000002E-03 -0.7951000    
 C   -1.267500      -4.085400      0.4965000    
 C    6.290800       1.122100       1.828100    
 C    5.751000      0.1397000      -2.299400    
 H  -0.8679000     -0.1958000      -2.471100    
 H  -0.6713000       1.470700      -1.980600    
 H   -2.386000      0.7565000       2.319100    
 H  -0.3754000      -1.173400       1.985900    
 H   -2.114900      -1.878000      -1.919700    
 H   -5.047400       2.040500      -1.704700    
 H    2.400600      0.6703000       1.282000    
 H    2.408100       1.905600     -1.3800000E-02
 H    3.351500      0.2645000      -1.578200    
 H    3.453300     -0.9650000     -0.3300000    
 H   -4.607400       1.829800       2.575800    
 H   -5.935700       2.463700      0.5822000    
 H  -0.4137000      -3.592600       2.411700    
 H   -2.125700      -4.274500      -1.469700    
 H    4.216800       1.051100       1.916300    
 H    4.934600     -0.5479000       1.677200    
 H    6.864600      0.4699000     -0.5514000    
 H    5.987100      -1.066800     -0.5335000    
 H   -1.287500      -5.153400      0.6929000    
 H    6.290000       1.205400       2.921100    
 H    6.428300       2.131400       1.425100    
 H    7.160200      0.5119000       1.564800    
 H    6.688300     -0.1413000      -2.793100    
 H    5.528700       1.172300      -2.589500    
 H    4.978400     -0.5208000      -2.705300    


%chk=000030984-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000030984

0 1
O -2.366223 0.092033 -2.378474
O 1.254651 0.185262 -0.350769
O 0.141668 1.157088 1.441709
N 4.983392 0.515452 -0.164301
C -1.135596 -0.130452 -0.257803
C -2.388235 0.756725 -0.118562
C -1.006462 -0.202238 -1.819753
C -1.405730 -1.518644 0.390606
C -3.053078 0.794248 -1.365115
C 0.111509 0.495261 0.380104
C -2.952066 1.393799 0.999146
C -0.949189 -1.838186 1.693973
C -2.188952 -2.472284 -0.311726
C -4.279964 1.451383 -1.548851
C 2.555407 0.679430 0.204745
C 3.658501 0.127700 -0.705991
C -4.186489 2.074144 0.838714
C -4.840661 2.095650 -0.417950
C -1.249274 -3.092247 2.273069
C -2.488435 -3.723051 0.269082
C 5.509804 -0.460059 0.829098
C 5.970545 0.896450 -1.208645
C -2.016736 -4.041882 1.563302
C 6.464950 0.179795 1.854346
C 5.679950 2.274435 -1.832673
H -0.700943 -1.188600 -2.195187
H -0.319889 0.574899 -2.195279
H -2.438815 1.372742 1.964727
H -0.368825 -1.108578 2.268819
H -2.582440 -2.233260 -1.306207
H -4.771253 1.465162 -2.525741
H 2.650172 0.323558 1.246258
H 2.550186 1.782531 0.211383
H 3.530084 0.553182 -1.716698
H 3.541735 -0.976456 -0.805222
H -4.638275 2.586747 1.694444
H -5.795447 2.623036 -0.523039
H -0.885119 -3.323342 3.280522
H -3.096119 -4.445881 -0.286950
H 4.645387 -0.885628 1.372872
H 6.016096 -1.320754 0.323156
H 6.965786 0.931373 -0.729870
H 6.034295 0.121495 -2.014091
H -2.249606 -5.013363 2.013174
H 6.806555 -0.575184 2.586811
H 5.951447 0.993408 2.395485
H 7.362972 0.606708 1.372413
H 6.449962 2.527634 -2.585110
H 5.678212 3.053096 -1.050378
H 4.698256 2.299364 -2.340277


