%chk=000046184.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000046184

0 1
 O    4.392800       1.102900       1.363000    
 O   -1.715600       4.213700      0.4702000    
 O   -2.958100       1.773800     -0.1302000    
 O   -6.189900      -1.486600       1.984900    
 N    1.314000       2.179300     -0.1895000    
 C    3.629700      0.4042000      0.3683000    
 C    2.204600      0.1386000      0.9061000    
 C    3.524900       1.317400     -0.8735000    
 C    1.367600       1.414900       1.060800    
 C    2.659100       2.559800     -0.6341000    
 C   0.4718000       3.364500     -3.0600000E-02
 C    4.370600     -0.9143000      0.1390000    
 C  -0.9588000       3.003400      0.3762000    
 C    4.526200      -1.817100       1.189800    
 C    4.889500      -1.210800      -1.120600    
 C   -1.652700       2.072000     -0.6153000    
 C    5.202200      -3.019200      0.9805000    
 C    5.565300      -2.412900      -1.329800    
 C    5.721700      -3.317000     -0.2793000    
 C   -3.483100      0.5594000     -0.4831000    
 C   -4.377400     -7.9099998E-02  0.3695000    
 C   -3.116300     -2.5100000E-02  -1.690600    
 C   -4.911000      -1.316800      1.0200000E-02
 C   -3.650100      -1.262700      -2.049900    
 C   -4.547400      -1.908500      -1.199500    
 C   -5.846400      -1.990500      0.8971000    
 C   -6.433200      -3.343700      0.5104000    
 H    2.243300     -0.3432000       1.890800    
 H    1.678300     -0.5508000      0.2313000    
 H    3.082600      0.7687000      -1.715900    
 H    4.521700       1.659000      -1.180800    
 H   0.3762000       1.067300       1.365700    
 H    1.760300       2.027000       1.882700    
 H    3.143100       3.229800      8.7499999E-02
 H    2.591900       3.108700      -1.581800    
 H   0.8960000       4.059700      0.7070000    
 H   0.4316000       3.922900     -0.9756000    
 H   -1.007500       2.573100       1.381400    
 H    3.913800       1.904400       1.627200    
 H    4.141300      -1.600800       2.182300    
 H    4.804500     -0.5409000      -1.968600    
 H   -1.754400       2.569200      -1.587400    
 H   -1.054100       1.160300     -0.7247000    
 H    5.326900      -3.721900       1.799100    
 H    5.972200      -2.644700      -2.309800    
 H   -1.283400       4.780000       1.132300    
 H    6.249100      -4.252400     -0.4418000    
 H   -4.647600      0.3984000       1.308000    
 H   -2.444900      0.4569000      -2.394700    
 H   -3.372200      -1.720200      -2.995000    
 H   -4.939700      -2.869000      -1.518500    
 H   -7.108600      -3.680500       1.303400    
 H   -7.013400      -3.254700     -0.4116000    
 H   -5.637200      -4.085700      0.4077000    


%chk=000046184-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000046184

0 1
O 4.906207 1.484561 1.001133
O -1.833440 4.026096 0.676400
O -2.646413 1.109064 0.320739
O -6.368428 -1.952513 1.711060
N 1.401290 2.109872 0.156511
C 3.914157 0.532429 0.442952
C 2.713638 0.404129 1.426210
C 3.395518 1.068955 -0.923743
C 1.881948 1.699791 1.499174
C 2.542088 2.343177 -0.763003
C 0.451906 3.244987 0.201879
C 4.649859 -0.801876 0.276090
C -0.978851 2.825190 0.627158
C 6.020117 -0.929032 0.611030
C 3.960409 -1.936622 -0.225899
C -1.609355 1.880555 -0.387363
C 6.686023 -2.165391 0.447638
C 4.625375 -3.171288 -0.389225
C 5.993900 -3.291286 -0.052545
C -3.412280 0.205985 -0.424663
C -4.396881 -0.502669 0.299551
C -3.251011 -0.023405 -1.817021
C -5.226619 -1.444076 -0.353829
C -4.084130 -0.964182 -2.464871
C -5.067698 -1.675162 -1.749691
C -6.258123 -2.171058 0.469136
C -7.171002 -3.179227 -0.223084
H 3.104591 0.148513 2.427900
H 2.055674 -0.419807 1.097032
H 2.779201 0.290638 -1.408799
H 4.263954 1.273471 -1.576233
H 1.015539 1.533233 2.163091
H 2.487974 2.522069 1.972400
H 3.186987 3.193752 -0.406348
H 2.146986 2.646214 -1.749765
H 0.797266 4.057948 0.889974
H 0.385261 3.693795 -0.807513
H -0.963793 2.317134 1.612831
H 4.467599 2.365468 1.113212
H 6.546994 -0.053597 0.997634
H 2.898356 -1.866150 -0.492399
H -2.064577 2.475420 -1.204087
H -0.834773 1.195972 -0.785518
H 7.746561 -2.248226 0.712139
H 4.077034 -4.037308 -0.777050
H -1.696555 4.500393 1.533901
H 6.511262 -4.249186 -0.178079
H -4.525820 -0.326746 1.371867
H -2.494239 0.514782 -2.394811
H -3.957080 -1.137380 -3.539204
H -5.701261 -2.398754 -2.271110
H -7.856437 -3.612046 0.521010
H -7.761815 -2.695316 -1.022995
H -6.583292 -3.991096 -0.690602


