%chk=000046769.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000046769

1 1
 O    1.695200     -0.2039000     -0.2065000    
 O    2.107200       1.920200      0.6621000    
 N   -3.241900     -0.8016000      0.2995000    
 C   -2.923200      -1.808100     -0.8025000    
 C   -4.710800     -0.4038000      0.1691000    
 C   -2.302700      0.3986000      0.1571000    
 C   -3.038200      -1.423100       1.678200    
 C   -3.152400      -1.160400      -2.150600    
 C   -5.574500      -1.640100      0.2919000    
 C  -0.9748000      0.1533000      0.2652000    
 C   -2.878100       1.604500     -6.5399997E-02
 C  -0.1187000       1.246800      0.1349000    
 C   -2.021800       2.697800     -0.1958000    
 C  -0.6422000       2.519100     -9.5600002E-02
 C    1.319700       1.061500      0.2395000    
 C    3.068500     -0.4519000     -0.1343000    
 C    3.580800      -1.004300       1.018400    
 C    3.855400     -0.1335000      -1.218500    
 C    4.951700      -1.251200       1.090800    
 C    5.226400     -0.3806000      -1.146100    
 C    5.774400     -0.9394000      8.5000005E-03
 H   -1.877300      -2.118400     -0.7008000    
 H   -3.509900      -2.720100     -0.6663000    
 H   -4.954900      0.2750000      0.9964000    
 H   -4.907100      9.6699998E-02 -0.7833000    
 H   -3.430400     -0.7393000       2.437700    
 H   -3.535600      -2.394300       1.725600    
 H   -1.976300      -1.609300       1.858800    
 H   -2.780100      -1.842800      -2.924800    
 H   -4.210400      -1.013700      -2.383400    
 H   -2.619400     -0.2191000      -2.303300    
 H   -6.623100      -1.315200      0.2651000    
 H   -5.480600      -2.337700     -0.5432000    
 H   -5.473600      -2.179300       1.235300    
 H  -0.5675000     -0.8329000      0.4525000    
 H   -3.933400       1.820600     -0.1471000    
 H   -2.428300       3.689200     -0.3743000    
 H   1.1000000E-02   3.381400     -0.2022000    
 H    2.940000      -1.247400       1.860200    
 H    3.428600      0.3008000      -2.117000    
 H    5.378400      -1.686200       1.989700    
 H    5.867100     -0.1378000      -1.988800    
 H    6.841900      -1.131600      6.4800002E-02


%chk=000046769-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000046769

1 1
O 1.752297 0.122418 0.231658
O 2.018283 2.427317 0.660860
N -3.196905 -0.884742 0.056439
C -2.793278 -1.553797 -1.295317
C -4.727004 -0.609652 0.081264
C -2.390756 0.406175 0.259941
C -2.854288 -1.850352 1.199332
C -3.111189 -0.707006 -2.529002
C -5.620128 -1.830696 -0.163229
C -0.983841 0.307380 0.251725
C -3.024739 1.650047 0.473521
C -0.199753 1.466104 0.458282
C -2.230363 2.802435 0.678837
C -0.826048 2.718845 0.673346
C 1.302358 1.421775 0.466402
C 3.134962 -0.281793 0.179923
C 4.239883 0.569391 0.409147
C 3.296203 -1.651295 -0.122346
C 5.535333 0.007137 0.327496
C 4.597376 -2.189249 -0.199035
C 5.721969 -1.360354 0.026226
H -1.711809 -1.748855 -1.223192
H -3.310692 -2.526569 -1.319995
H -4.935468 -0.176618 1.073948
H -4.916239 0.158062 -0.684572
H -3.151400 -1.387708 2.152311
H -3.388543 -2.798844 1.047494
H -1.771788 -2.035466 1.205718
H -2.689494 -1.218502 -3.411910
H -4.193523 -0.594805 -2.708254
H -2.648132 0.292688 -2.477104
H -6.667009 -1.485411 -0.092203
H -5.499714 -2.266978 -1.168488
H -5.499855 -2.625260 0.591210
H -0.450236 -0.633444 0.091837
H -4.109801 1.763656 0.488716
H -2.721680 3.765666 0.844449
H -0.198584 3.600935 0.833387
H 4.102308 1.625732 0.639512
H 2.413582 -2.275293 -0.293137
H 6.402105 0.652650 0.502510
H 4.732458 -3.250030 -0.433297
H 6.732243 -1.777190 -0.032909


