%chk=000040655.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000040655

0 1
 O  -0.1010000     -0.6181000     -0.8577000    
 O   8.2800001E-02   2.431800      0.5195000    
 O    2.256600      2.7899999E-02  -1.725900    
 O  -0.6518000       2.626700      -1.653400    
 N    3.404900     -0.4443000      0.2362000    
 C   -1.878100      -2.729200     -0.1888000    
 C   -2.229000      -1.288800     -9.2000002E-03
 C   -1.333000     -0.2820000     -0.3477000    
 C   -1.669600       1.055500     -0.1769000    
 C   -3.480300     -0.9532000      0.5079000    
 C   -1.858200      -3.499300       1.144300    
 C   -2.807400      -3.439300      -1.190300    
 C   -2.920800       1.391100      0.3404000    
 C   -3.826200      0.3868000      0.6830000    
 C   0.9497000     -0.8050000      6.6100001E-02
 C    2.259800     -0.3722000     -0.5576000    
 C    4.688000     -2.9899999E-02 -0.3179000    
 C    3.445800     -0.8971000       1.624400    
 C   -3.319500       2.817300      0.5394000    
 C  -0.7199000       2.103100     -0.5363000    
 C    5.406400      -1.187600     -0.9798000    
 C    3.241200      0.2526000       2.589300    
 C    1.059600       3.453300      0.2909000    
 H  -0.8733000      -2.830300     -0.6125000    
 H   -4.202300      -1.717400      0.7819000    
 H   -1.180600      -3.019900       1.859700    
 H   -1.510200      -4.526300      0.9890000    
 H   -2.850900      -3.551300       1.604300    
 H   -3.839700      -3.490400     -0.8281000    
 H   -2.467500      -4.465400      -1.368700    
 H   -2.814700      -2.915700      -2.152800    
 H   -4.805000      0.6303000       1.087600    
 H   0.7794000     -0.2354000      0.9850000    
 H    1.017200      -1.870000      0.3093000    
 H    4.519100      0.7556000      -1.063300    
 H    5.306300      0.4072000      0.4737000    
 H    2.665700      -1.645600       1.789000    
 H    4.403900      -1.392900       1.815800    
 H   -2.649700       3.307000       1.253900    
 H   -3.294500       3.359600     -0.4116000    
 H   -4.337200       2.904800      0.9352000    
 H    5.612400      -1.989600     -0.2636000    
 H    4.806700      -1.613200      -1.791200    
 H    6.360100     -0.8539000      -1.400100    
 H    4.034300       1.000400       2.487400    
 H    2.287800      0.7614000       2.418000    
 H    3.251500     -0.1116000       3.621300    
 H    1.621300       3.599700       1.217200    
 H    1.753300       3.141600     -0.4955000    
 H   0.5672000       4.392800      2.3499999E-02


%chk=000040655-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000040655

0 1
O -0.115436 -0.393021 -0.830973
O 0.340197 2.219427 0.223693
O 2.400349 0.199305 -1.677034
O -1.224609 3.252368 -1.157359
N 3.419693 -0.436310 0.315933
C -1.813811 -2.714485 -0.285929
C -2.246129 -1.278374 0.018925
C -1.387279 -0.175495 -0.230829
C -1.808154 1.166921 -0.016620
C -3.530662 -0.989795 0.539585
C -1.630039 -3.538901 1.017321
C -2.808806 -3.418002 -1.246063
C -3.118964 1.438861 0.473607
C -3.955166 0.335185 0.767568
C 0.958599 -0.689257 0.120602
C 2.304819 -0.265778 -0.503121
C 4.751413 -0.082506 -0.234913
C 3.360986 -0.883851 1.725738
C -3.619348 2.857113 0.681935
C -0.908932 2.304882 -0.400520
C 5.451176 -1.286423 -0.900566
C 3.251082 0.287225 2.730161
C 1.366326 3.186144 -0.248838
H -0.840493 -2.661445 -0.808175
H -4.218527 -1.815912 0.754853
H -0.900900 -3.062452 1.698927
H -1.271903 -4.558927 0.783835
H -2.586126 -3.633445 1.565700
H -3.809934 -3.524073 -0.787968
H -2.446345 -4.431984 -1.497798
H -2.922118 -2.848475 -2.185311
H -4.959193 0.522499 1.164779
H 0.789333 -0.133982 1.061752
H 0.969771 -1.779046 0.340754
H 4.602114 0.715558 -0.981969
H 5.369568 0.321666 0.588931
H 2.514157 -1.578949 1.863040
H 4.275967 -1.470745 1.932503
H -2.938505 3.443081 1.326865
H -3.682098 3.396724 -0.279230
H -4.617167 2.853182 1.151913
H 5.595170 -2.118924 -0.187138
H 4.848298 -1.651376 -1.749174
H 6.444833 -0.989621 -1.283951
H 4.114858 0.970100 2.637415
H 2.332102 0.874133 2.553757
H 3.226605 -0.093079 3.767989
H 2.120836 3.218767 0.550863
H 1.800099 2.796598 -1.184613
H 0.912895 4.176495 -0.416556


