%chk=000040327.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000040327

0 1
 O   -2.092800      -2.560600      0.2668000    
 C   0.4965000      4.1200001E-02  4.5600001E-02
 C    1.917600      0.1166000      1.3500000E-02
 C  -0.3001000       1.215600     -1.6799999E-02
 C  -0.1159000      -1.227200      0.1411000    
 C   -1.733500       1.102100      1.8100001E-02
 C    2.560400       1.369700     -8.1600003E-02
 C    2.701800      -1.061100      7.6399997E-02
 C   -2.321500     -0.1836000      0.1142000    
 C   -1.509900      -1.321200      0.1738000    
 C   0.3874000       2.447300     -0.1112000    
 C   0.6746000      -2.382800      0.2026000    
 C    1.782100       2.525100     -0.1430000    
 C    2.065300      -2.301800      0.1706000    
 C    3.961500       1.435100     -0.1126000    
 C    4.100900     -0.9678000      4.3600000E-02
 C   -2.622900       2.205400     -3.7500001E-02
 C   -3.719400     -0.3297000      0.1507000    
 C    4.725900      0.2731000     -5.0400000E-02
 C   -4.010800       2.046700     -3.0000001E-04
 C   -4.559500      0.7778000      9.3900003E-02
 C   -2.387600      -3.220000     -0.9575000    
 H  -0.1515000       3.390000     -0.1631000    
 H   0.2351000      -3.374000      0.2881000    
 H    2.248300       3.505600     -0.2167000    
 H    2.644900      -3.221000      0.2229000    
 H    4.470300       2.394100     -0.1857000    
 H    4.717700      -1.862900      9.0899996E-02
 H   -2.251300       3.224100     -0.1116000    
 H   -4.192200      -1.305600      0.2363000    
 H    5.810000      0.3343000     -7.5099997E-02
 H   -4.657300       2.918200     -4.4500001E-02
 H   -5.637000      0.6484000      0.1259000    
 H   -2.857800      -4.179400     -0.7238000    
 H   -1.476000      -3.414000      -1.531100    
 H   -3.084100      -2.634400      -1.565700    


%chk=000040327-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000040327

0 1
O -2.142139 -2.646513 0.248928
C 0.502459 0.028539 0.047826
C 1.940775 0.116831 0.018117
C -0.300303 1.215445 -0.030794
C -0.121255 -1.281409 0.148536
C -1.749237 1.104513 0.015100
C 2.584987 1.401972 -0.095100
C 2.751499 -1.075602 0.100225
C -2.361098 -0.205736 0.114040
C -1.526648 -1.372380 0.150298
C 0.374351 2.485291 -0.147255
C 0.716768 -2.461408 0.244830
C 1.757045 2.577852 -0.177982
C 2.091627 -2.362078 0.221628
C 4.008632 1.473888 -0.124770
C 4.163961 -0.961109 0.068970
C -2.619528 2.242842 -0.030096
C -3.789475 -0.323665 0.183046
C 4.786287 0.304854 -0.042958
C -4.009350 2.104287 0.023373
C -4.602021 0.808526 0.136552
C -2.439206 -3.276982 -1.054429
H -0.214631 3.404048 -0.213823
H 0.220355 -3.428957 0.364188
H 2.243266 3.556438 -0.266743
H 2.715858 -3.259644 0.304638
H 4.490721 2.454465 -0.212829
H 4.774592 -1.869337 0.133612
H -2.195465 3.248433 -0.102425
H -4.218765 -1.322922 0.301968
H 5.879360 0.372910 -0.065606
H -4.648750 2.993181 -0.012211
H -5.691318 0.710410 0.196837
H -2.913698 -4.241613 -0.817840
H -1.509188 -3.442669 -1.632165
H -3.131266 -2.649401 -1.648883


