%chk=000040647.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000040647

0 1
 O  -0.1479000      0.6954000     -0.2174000    
 O   0.3662000       3.423600     -6.2500000E-02
 O   -3.311100       1.400300      -1.063800    
 O   -3.068600       1.638200       1.212900    
 N    3.305400       1.199200      0.2889000    
 C    1.173500      -1.814700     -0.3415000    
 C  -0.2993000      -1.685300     -0.1314000    
 C  -0.9086000     -0.4343000     -7.6499999E-02
 C   -2.283400     -0.3299000      0.1197000    
 C    1.215000       2.490100      0.6115000    
 C   0.3900000       1.257700      0.9755000    
 C   -1.069700      -2.839300      1.0900000E-02
 C   -3.053800      -1.483800      0.2623000    
 C    1.517400      -2.557500      -1.645600    
 C    1.879200      -2.490900      0.8483000    
 C   -2.447000      -2.738700      0.2080000    
 C    2.401800       2.176700     -0.3026000    
 C   -4.530800      -1.407600      0.4747000    
 C   -2.914300      0.9845000      0.1759000    
 C    4.394100      0.8770000     -0.6236000    
 C   -3.945300       2.681600      -1.139700    
 C    5.297300     -0.1149000     -3.1900000E-02
 C    6.040000     -0.9272000      0.4478000    
 H    1.629400     -0.8281000     -0.4494000    
 H    1.566800       2.967700       1.533700    
 H  -0.4358000       1.564900       1.627200    
 H   0.9937000      0.5216000       1.517100    
 H  -0.6201000      -3.827700     -2.8000001E-02
 H    1.191000      -3.602700      -1.621900    
 H    2.599600      -2.551300      -1.816300    
 H    1.039100      -2.075300      -2.505500    
 H    1.564000      -3.532000      0.9753000    
 H    2.964600      -2.489100      0.7019000    
 H    1.665800      -1.959400       1.782200    
 H   -3.032000      -3.648100      0.3171000    
 H    2.026400       1.817500      -1.269800    
 H    2.938600       3.110100     -0.5167000    
 H   -4.759400     -0.8476000       1.387600    
 H   -4.978800      -2.401400      0.5838000    
 H   -5.017100     -0.9240000     -0.3789000    
 H    3.681300       1.572300       1.160600    
 H   0.8938000       4.219600     -0.2457000    
 H    4.964300       1.780300     -0.8710000    
 H    3.992000      0.4718000      -1.559800    
 H   -3.259300       3.462100     -0.7970000    
 H   -4.202900       2.872600      -2.184700    
 H   -4.862800       2.683900     -0.5438000    
 H    6.698100      -1.648200      0.8735000    


%chk=000040647-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000040647

0 1
O -0.086543 0.578822 -0.208756
O 0.031675 3.568659 0.052667
O -2.742004 1.481362 -1.170397
O -3.516445 1.471329 1.025505
N 3.168153 1.465791 0.218586
C 1.293348 -1.947900 -0.121421
C -0.218850 -1.844020 0.089813
C -0.870873 -0.583138 0.020029
C -2.279014 -0.457276 0.149712
C 0.999463 2.609508 0.618327
C 0.228165 1.352462 1.014020
C -1.039236 -2.978875 0.297660
C -3.085262 -1.606195 0.387180
C 1.593698 -2.145839 -1.635405
C 1.961206 -3.063169 0.716941
C -2.437765 -2.862721 0.451502
C 2.136875 2.325730 -0.389049
C -4.590733 -1.495199 0.550966
C -2.906784 0.906227 0.082149
C 4.080588 0.816603 -0.754177
C -3.138075 2.909141 -1.282467
C 5.059816 -0.064092 -0.090168
C 5.893357 -0.793028 0.451502
H 1.742636 -0.981490 0.176105
H 1.432067 3.034036 1.554498
H -0.703097 1.640750 1.538679
H 0.859898 0.735089 1.682043
H -0.577099 -3.970415 0.356224
H 1.143789 -3.087240 -2.003327
H 2.685443 -2.198892 -1.810317
H 1.177187 -1.314666 -2.232409
H 1.652111 -4.072009 0.383619
H 3.059818 -3.000729 0.610224
H 1.714647 -2.966132 1.790000
H -3.041029 -3.761698 0.622538
H 1.695818 1.795737 -1.250946
H 2.539078 3.304319 -0.762669
H -4.850325 -0.837215 1.399264
H -5.040849 -2.487103 0.724298
H -5.065343 -1.059487 -0.348727
H 3.687220 1.926014 0.977715
H 0.529987 4.331127 -0.338627
H 4.639599 1.548705 -1.389212
H 3.462004 0.211379 -1.445025
H -2.406291 3.516663 -0.724459
H -3.095885 3.125204 -2.359382
H -4.152824 3.064146 -0.879155
H 6.617081 -1.430575 0.925729


