%chk=000057239.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000057239

0 1
 O    2.309000      -1.037200     -0.9389000    
 O   -5.028600      0.3291000      0.2701000    
 O   -4.634100      -1.739800     -0.6588000    
 N    4.695500     -5.5700000E-02  3.7999999E-02
 N    1.215600      0.8364000     -4.1000001E-02
 C    3.598000      0.8739000     -0.2266000    
 C    5.952900      0.6722000      0.2046000    
 C    4.409200     -0.8598000       1.225400    
 C    2.316900      9.0999998E-02 -0.4568000    
 C    6.297600       1.465700      -1.044300    
 C    5.539800      -1.832200       1.515700    
 C  -0.1483000      0.4613000     -8.7700002E-02
 C  -0.4930000     -0.7802000     -0.5957000    
 C   -1.109400       1.344200      0.3756000    
 C   -2.817700     -0.2716000     -0.1791000    
 C   -1.837400      -1.149300     -0.6418000    
 C   -2.453800      0.9752000      0.3296000    
 C   -4.219300     -0.6563000     -0.2259000    
 C   -6.436100      6.7599997E-02  0.2786000    
 C   -7.156800       1.265600      0.8589000    
 H    3.746600       1.435800      -1.154900    
 H    3.479100       1.590200      0.5958000    
 H    5.928800       1.340800       1.074300    
 H    6.789800     -1.9600000E-02  0.3433000    
 H    4.243300     -0.2281000       2.108000    
 H    3.509100      -1.469000       1.099400    
 H    5.679200       2.361700      -1.154900    
 H    6.207600      0.8566000      -1.950300    
 H    7.336400       1.810200     -0.9850000    
 H    5.203200      -2.573800       2.249400    
 H    6.414700      -1.342300       1.953900    
 H    5.846100      -2.380900      0.6183000    
 H    1.389000       1.765100      0.3372000    
 H   0.2048000      -1.513300     -0.9720000    
 H  -0.8361000       2.317600      0.7736000    
 H   -2.100800      -2.125200      -1.041600    
 H   -3.182300       1.690500      0.7010000    
 H   -6.778700     -0.1116000     -0.7465000    
 H   -6.637300     -0.8192000      0.8896000    
 H   -8.237400       1.099500      0.8804000    
 H   -6.809500       1.467800       1.877600    
 H   -6.948500       2.163800      0.2682000    


%chk=000057239-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000057239

0 1
O 2.349998 -1.036431 -0.720038
O -5.212011 0.377568 0.204356
O -4.777398 -1.633952 -0.894231
N 4.835774 0.104912 0.260116
N 1.197443 0.769234 0.246055
C 3.637048 0.924605 0.099026
C 6.096196 0.869653 0.085857
C 4.806724 -0.747073 1.478325
C 2.357327 0.094233 -0.165245
C 6.350063 1.309296 -1.369295
C 5.713044 -1.986744 1.363158
C -0.160965 0.394391 0.081255
C -0.562147 -0.812791 -0.557360
C -1.150682 1.285181 0.586972
C -2.921938 -0.218866 -0.178013
C -1.932407 -1.103031 -0.680016
C -2.515242 0.982671 0.459892
C -4.352827 -0.587719 -0.339990
C -6.670837 0.084543 0.084948
C -7.409364 1.251266 0.733124
H 3.772025 1.582063 -0.781521
H 3.448621 1.609905 0.974846
H 6.134150 1.762687 0.763774
H 6.924222 0.208942 0.396475
H 5.073653 -0.158335 2.393918
H 3.767830 -1.098129 1.612714
H 5.606949 2.045193 -1.727880
H 6.314512 0.433303 -2.039244
H 7.345542 1.782867 -1.454944
H 5.602326 -2.624518 2.259680
H 6.782306 -1.722200 1.275196
H 5.425753 -2.571314 0.473031
H 1.352597 1.658903 0.729327
H 0.198508 -1.495054 -0.939282
H -0.844256 2.216985 1.079841
H -2.259743 -2.026360 -1.169279
H -3.275455 1.665338 0.848512
H -6.916803 -0.030825 -0.986324
H -6.874979 -0.878422 0.587446
H -8.500126 1.082611 0.673350
H -7.131800 1.352125 1.796445
H -7.176535 2.199989 0.219723


