%chk=000005019.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000005019

0 1
 O    1.505300       4.469200      0.3221000    
 O    3.752500      0.4902000     -0.6080000    
 O    4.959600      -1.905300     -0.4202000    
 N   -2.727500     -0.3594000      0.1019000    
 C   -1.278800     -0.4671000     -0.2117000    
 C  -0.5294000      0.8583000     -3.9500002E-02
 C  -0.5901000      -1.544100      0.6570000    
 C   -3.314800      0.7743000     -0.6301000    
 C   -1.237600       2.076100     -4.6399999E-02
 C   -2.739300       2.089100     -0.1123000    
 C   0.8853000      0.8504000      6.1900001E-02
 C   0.8918000      -1.623600      0.3658000    
 C   -3.462400      -1.581500     -0.2418000    
 C    1.607800     -0.4423000      7.4400000E-02
 C  -0.5463000       3.285100      7.7200003E-02
 C    1.545600       2.086600      0.1819000    
 C   -4.925900      -1.454300      0.1737000    
 C   0.8386000       3.289400      0.1874000    
 C    1.548200      -2.862600      0.4282000    
 C    2.983300     -0.5608000     -0.1935000    
 C    3.627900      -1.800300     -0.1461000    
 C    2.912500      -2.949200      0.1704000    
 C   -5.706100      -2.718300     -0.1526000    
 H   -1.164900     -0.7421000      -1.271900    
 H   -1.023200      -2.530200      0.4621000    
 H  -0.7207000      -1.327700       1.725700    
 H   -4.390900      0.8876000     -0.4948000    
 H   -3.133900      0.6766000      -1.709400    
 H   -3.124500       2.290100      0.8958000    
 H   -3.075000       2.903000     -0.7664000    
 H   -3.389000      -1.800200      -1.315000    
 H   -3.058500      -2.444200      0.2958000    
 H   -1.098300       4.222100      9.3800001E-02
 H    2.613200       2.163800      0.3566000    
 H   -5.000800      -1.250600       1.248700    
 H   -5.458000     -0.6594000     -0.3520000    
 H   0.9962000      -3.766400      0.6730000    
 H    3.408800      -3.914700      0.2121000    
 H   -5.687400      -2.925900      -1.227300    
 H   -5.288300      -3.583700      0.3719000    
 H   -6.751400      -2.610200      0.1543000    
 H   0.8622000       5.198800      0.3102000    
 H    3.250200      0.9744000      -1.286000    
 H    5.300700      -1.016700     -0.6221000    


%chk=000005019-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000005019

0 1
O 1.671875 4.483627 0.436198
O 3.727077 0.353764 -0.903130
O 4.847669 -2.056261 -0.630657
N -2.761505 -0.291575 -0.059990
C -1.285408 -0.425696 -0.210607
C -0.555429 0.917136 -0.085329
C -0.665332 -1.373869 0.852404
C -3.279276 0.888979 -0.797582
C -1.235454 2.156630 -0.059050
C -2.749611 2.185358 -0.170653
C 0.868805 0.884916 0.059601
C 0.808357 -1.573765 0.537716
C -3.496717 -1.527647 -0.448704
C 1.549574 -0.435840 0.085999
C -0.508598 3.364646 0.085121
C 1.582266 2.097674 0.247274
C -4.855127 -1.670854 0.271464
C 0.890982 3.328088 0.247904
C 1.440805 -2.829492 0.641001
C 2.891212 -0.631523 -0.324972
C 3.520031 -1.900007 -0.216836
C 2.799860 -2.997996 0.284785
C -5.610632 -2.944022 -0.167271
H -1.036877 -0.854081 -1.220856
H -1.176777 -2.351501 0.863305
H -0.817477 -0.912532 1.848840
H -4.382020 0.875721 -0.750265
H -2.993654 0.848714 -1.880932
H -3.190755 2.296853 0.839177
H -3.074553 3.058174 -0.769486
H -3.655099 -1.567540 -1.557151
H -2.878735 -2.407283 -0.194806
H -1.047115 4.322265 0.091121
H 2.643852 2.111408 0.515330
H -4.670680 -1.686813 1.362020
H -5.485880 -0.782330 0.073443
H 0.867561 -3.693107 0.995741
H 3.300021 -3.967640 0.360083
H -5.823361 -2.930094 -1.253155
H -5.017861 -3.853760 0.046040
H -6.574763 -3.039281 0.363861
H 1.102359 5.291502 0.473782
H 3.213344 1.165755 -1.146932
H 5.169746 -1.182400 -0.979046


