%chk=000043635.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000043635

1 1
 O   -3.800400      -1.388000      5.2099999E-02
 O   -5.444300      0.7382000     -1.7200001E-02
 N    2.441400      0.8043000      0.6781000    
 C   0.9046000      0.5388000      0.6666000    
 C    3.118000     -0.3934000       1.365500    
 C   0.4978000     -0.8614000      0.2245000    
 C    3.027500       1.022800     -0.7179000    
 C   0.1523000       1.602800     -0.1567000    
 C    2.872700      -1.685700      0.5987000    
 C    1.430900      -1.914700      0.2377000    
 C    2.761600       2.045100       1.523900    
 C  -0.8557000      -1.096800     -0.1336000    
 C   -1.339400       1.354800     -0.1096000    
 C   -1.823700      2.7200000E-02 -0.1096000    
 C    4.523800       1.263400     -0.5978000    
 C    1.028900      -3.196900     -0.1524000    
 C   -1.218900      -2.399200     -0.5184000    
 C  -0.2874000      -3.437200     -0.5280000    
 C   -2.225700       2.442600     -0.1176000    
 C   -3.217400     -0.1581000     -7.3700003E-02
 C    5.148400       1.532400      -1.957200    
 C   -3.600000       2.228900     -9.2500001E-02
 C   -4.095000      0.9301000     -6.4999998E-02
 H   0.5946000      0.6161000       1.719400    
 H    2.664200     -0.4634000       2.363800    
 H    4.182100     -0.1976000       1.522100    
 H    2.554000       1.911800      -1.146900    
 H    2.787500      0.1627000      -1.349400    
 H   0.4374000       1.576000      -1.215000    
 H   0.3701000       2.604200      0.2299000    
 H    3.221000      -2.516700       1.225300    
 H    3.475500      -1.710400     -0.3165000    
 H    3.807900       2.027700       1.840100    
 H    2.536600       2.943800      0.9431000    
 H    2.135900       2.016500       2.421600    
 H    4.765600       2.129500      2.3300000E-02
 H    5.050400      0.3972000     -0.1898000    
 H    1.744300      -4.015200     -0.1713000    
 H   -2.209700      -2.650400     -0.8793000    
 H  -0.5881000      -4.432400     -0.8430000    
 H   -1.846600       3.461100     -0.1391000    
 H    6.226100       1.696700      -1.856300    
 H    4.996900      0.6843000      -2.633000    
 H    4.712000       2.423100      -2.420700    
 H   -4.277600       3.078000     -8.9500003E-02
 H   -4.623300      -1.402400     -0.4651000    
 H   -5.634100     -0.1432000      0.3436000    


%chk=000043635-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000043635

1 1
O -3.721029 -1.543768 -0.179553
O -5.440179 0.408445 -0.047749
N 2.426258 0.861722 0.785685
C 0.883268 0.582643 0.679121
C 3.047197 -0.321947 1.557340
C 0.580771 -0.840481 0.200138
C 3.059349 1.025280 -0.619186
C 0.150276 1.605158 -0.211764
C 2.950496 -1.624281 0.764589
C 1.546116 -1.876599 0.233864
C 2.650198 2.123766 1.609676
C -0.764199 -1.109374 -0.229307
C -1.344997 1.336717 -0.122019
C -1.782798 -0.026427 -0.173438
C 4.593892 1.138580 -0.650829
C 1.204683 -3.171966 -0.222071
C -1.075616 -2.421548 -0.675470
C -0.097257 -3.436393 -0.685961
C -2.258500 2.403166 -0.050245
C -3.183955 -0.259195 -0.149353
C 5.065872 1.310560 -2.115412
C -3.653136 2.159433 -0.026476
C -4.097913 0.831632 -0.074194
H 0.524896 0.709578 1.722942
H 2.478496 -0.390541 2.501533
H 4.089865 -0.056219 1.794111
H 2.612621 1.937479 -1.048098
H 2.714157 0.165942 -1.217359
H 0.475788 1.485662 -1.263694
H 0.354360 2.644887 0.097299
H 3.244291 -2.446056 1.444030
H 3.692560 -1.639082 -0.057395
H 3.728181 2.261110 1.776447
H 2.248087 2.995654 1.075057
H 2.140298 2.012955 2.579139
H 4.942220 2.006392 -0.060326
H 5.070865 0.236560 -0.226169
H 1.956823 -3.969051 -0.200698
H -2.093481 -2.643333 -0.996786
H -0.360645 -4.438239 -1.039068
H -1.893536 3.434971 -0.019718
H 6.165081 1.388863 -2.155606
H 4.768155 0.449789 -2.741084
H 4.648927 2.226562 -2.571665
H -4.364185 2.990979 0.031276
H -4.713400 -1.474548 -0.111132
H -6.086521 1.151561 0.006780


