%chk=000019970.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000019970

0 1
 O  -0.9613000       1.329900      -1.785500    
 O   0.5168000      -2.101500      0.3285000    
 O   -4.383500      -1.014300      0.8917000    
 O    2.216600       2.443400       1.901000    
 O    3.555700     -0.8753000      -2.075700    
 O   0.4219000      -4.391900      0.1167000    
 N   -2.742000      0.5546000      0.3526000    
 N   0.1825000       1.112400      0.3059000    
 N    5.606800      0.2205000     -0.6830000    
 N   0.4016000      -3.388300       2.185300    
 C   -1.665400     -0.2604000     -0.1455000    
 C   -1.715900      0.1582000       1.263500    
 C  -0.4975000      0.4031000     -0.8061000    
 C  -0.5830000       1.098300       1.549700    
 C   0.6434000     -0.4775000      -1.419000    
 C    1.547300      0.9881000      0.1794000    
 C    1.877800      0.1445000     -0.7963000    
 C   -4.039900      7.9899997E-02  0.4514000    
 C   0.5669000      -1.964500      -1.079400    
 C    2.543500       1.670800       1.007000    
 C    3.272700     -0.1288000      -1.143900    
 C   -5.043900       1.083900     -4.6000000E-02
 C   -1.472800      0.6615000      -2.928600    
 C    3.981500       1.378500      0.6903000    
 C    4.329700      0.5436000     -0.3135000    
 C   -6.455400      0.5329000      7.6200001E-02
 C    4.961400       2.096000       1.580400    
 C   -7.510300       1.484900     -0.4704000    
 C   0.4448000      -3.382600      0.8131000    
 H   -1.956600      -1.243800     -0.4718000    
 H   -1.984300     -0.5300000       2.048300    
 H   1.6500000E-02  0.7185000       2.383900    
 H  -0.9443000       2.102400       1.792900    
 H   0.7366000     -0.3730000      -2.502900    
 H    1.446600      -2.492400      -1.466700    
 H  -0.3239000      -2.411200      -1.536000    
 H   -4.814300       1.316500      -1.092400    
 H   -4.941700       2.005400      0.5386000    
 H  -0.6963000      0.5621000      -3.692200    
 H   -1.922300     -0.3126000      -2.713300    
 H   -2.253000       1.298100      -3.357800    
 H   -6.683600      0.3188000       1.127600    
 H   -6.535500     -0.4195000     -0.4627000    
 H    4.835300       3.179900       1.484600    
 H    6.005800       1.871200       1.352200    
 H    4.793900       1.819100       2.627000    
 H    5.757600     -0.4189000      -1.453700    
 H    6.404200      0.6113000     -0.2002000    
 H   -7.341000       1.687000      -1.532800    
 H   -7.492400       2.437600      6.8300001E-02
 H   -8.508400       1.049700     -0.3607000    
 H   0.3468000      -4.255300       2.709000    
 H   0.4217000      -2.524700       2.717300    


%chk=000019970-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000019970

0 1
O -0.836066 1.853867 -1.393139
O 0.604261 -2.242992 0.077976
O -4.499416 0.910457 2.141914
O 2.557533 2.158411 2.264341
O 3.489302 -0.880753 -2.267235
O -1.555307 -3.207008 0.146329
N -2.646784 1.010807 0.736101
N 0.382091 1.265708 0.526829
N 5.581187 0.080776 -0.921844
N 0.020663 -3.524641 1.855877
C -1.635655 0.049140 0.192266
C -1.570679 0.562156 1.645418
C -0.451225 0.690266 -0.571983
C -0.366935 1.508618 1.782620
C 0.554992 -0.221458 -1.379832
C 1.709935 1.019643 0.307205
C 1.900712 0.235202 -0.829255
C -4.025965 0.800375 0.976877
C 0.376488 -1.749956 -1.306373
C 2.829884 1.505028 1.190725
C 3.208676 -0.123904 -1.260197
C -4.876103 0.555595 -0.270529
C -1.807326 1.557666 -2.450572
C 4.177575 1.183816 0.749649
C 4.359753 0.431145 -0.416278
C -6.313158 0.101721 0.056502
C 5.350730 1.675994 1.570368
C -7.170568 -0.065290 -1.214906
C -0.416220 -3.022799 0.653672
H -1.955036 -0.974345 -0.030745
H -1.862538 -0.073021 2.487722
H 0.272655 1.278434 2.647982
H -0.690821 2.560745 1.853117
H 0.462737 0.038586 -2.451833
H 1.155307 -2.222907 -1.927653
H -0.626405 -2.073691 -1.638700
H -4.372241 -0.189579 -0.919001
H -4.903326 1.501494 -0.850417
H -1.434527 0.791986 -3.162618
H -2.775834 1.227981 -2.032359
H -1.945212 2.508353 -2.987762
H -6.773503 0.837997 0.739868
H -6.275093 -0.851539 0.617049
H 5.993302 2.374880 0.997844
H 5.990274 0.843209 1.926491
H 4.974132 2.215376 2.454298
H 5.568417 -0.500402 -1.767497
H 6.455179 0.360507 -0.484696
H -6.736357 -0.818833 -1.899384
H -7.252489 0.887902 -1.771467
H -8.194534 -0.394083 -0.961196
H -0.610839 -4.102714 2.403308
H 0.971775 -3.347824 2.171421


