%chk=000015548.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000015548

0 1
 O    3.412100      -1.437300       1.656600    
 O    3.736000      -1.794300      -1.079200    
 O   -1.820100      -2.765500      0.1248000    
 O   -4.133100      -1.795000      -1.072700    
 N  -0.3930000       3.107200     -0.1477000    
 C   0.3042000       2.315000      0.9015000    
 C    1.225500       1.217000      0.3635000    
 C   0.4439000       3.319300      -1.334600    
 C   0.7570000       1.977900      -1.989500    
 C    1.437500       1.058900      -1.017000    
 C  -0.7648000       1.689300       1.818200    
 C    1.922300      0.3754000       1.248100    
 C  -0.8419000       4.408400      0.3627000    
 C   -1.657600      0.7609000       1.051700    
 C    2.268600      3.3500001E-02  -1.490900    
 C    2.761000     -0.6331000      0.7703000    
 C    2.926600     -0.8102000     -0.5992000    
 C   -1.322500     -0.5848000      0.9419000    
 C   -2.814100       1.252300      0.4547000    
 C   -2.152900      -1.448400      0.2278000    
 C   -3.644400      0.3888000     -0.2595000    
 C   -3.313800     -0.9617000     -0.3730000    
 C    2.741800      -2.628400       2.064200    
 C    5.106400      -1.460700      -1.292500    
 C   -1.008700      -3.144000     -0.9854000    
 C   -5.176200      -2.440300     -0.3449000    
 H   0.9459000       2.984700       1.491400    
 H    1.369900       3.849600      -1.073500    
 H  -8.9299999E-02   3.934500      -2.070000    
 H    1.403100       2.153300      -2.857900    
 H  -0.1632000       1.499500      -2.347400    
 H   -1.371500       2.460300       2.308900    
 H  -0.3083000       1.147800       2.656500    
 H    1.819100      0.5061000       2.322800    
 H   -1.535900       4.302300       1.201100    
 H   -1.390700       4.953900     -0.4136000    
 H  -2.0000001E-03   5.032300      0.6892000    
 H    2.409600     -9.9200003E-02  -2.561300    
 H  -0.4427000     -0.9888000       1.432400    
 H   -3.094100       2.298000      0.5436000    
 H   -4.548300      0.7743000     -0.7232000    
 H    1.807100      -2.384500       2.579000    
 H    3.392800      -3.168200       2.757200    
 H    2.538400      -3.271200       1.201800    
 H    5.621000      -2.349900      -1.666800    
 H    5.578600      -1.151900     -0.3545000    
 H    5.195500     -0.6645000      -2.038400    
 H  -3.7599999E-02  -2.641000     -0.9381000    
 H   -1.509700      -2.906100      -1.929000    
 H  -0.8456000      -4.224100     -0.9381000    
 H   -4.760500      -3.070100      0.4480000    
 H   -5.735700      -3.074600      -1.037800    
 H   -5.860100      -1.700200      8.2400002E-02


%chk=000015548-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000015548

0 1
O 3.372914 -1.341248 1.619683
O 3.452270 -1.799600 -1.277575
O -1.886820 -2.836328 0.559951
O -3.973362 -1.909484 -1.279443
N -0.242412 3.476403 -0.003695
C 0.315645 2.510352 0.983368
C 1.187075 1.418632 0.358511
C 0.432514 3.542969 -1.317928
C 0.473456 2.144056 -1.956486
C 1.224692 1.193790 -1.042512
C -0.861241 1.864935 1.817373
C 1.921348 0.562097 1.212955
C -0.485211 4.805760 0.581971
C -1.702012 0.871568 1.035529
C 2.000651 0.127820 -1.555314
C 2.666621 -0.518678 0.705465
C 2.723426 -0.729115 -0.702557
C -1.468353 -0.520297 1.161769
C -2.701049 1.304953 0.124703
C -2.192184 -1.458527 0.399606
C -3.454568 0.370296 -0.618729
C -3.217498 -1.014845 -0.482782
C 2.891900 -2.742189 1.663875
C 4.915293 -1.737903 -1.052748
C -1.278392 -3.451197 -0.643743
C -4.783061 -2.886706 -0.515995
H 0.951071 3.058263 1.725572
H 1.474194 3.949379 -1.246028
H -0.148142 4.237397 -1.954700
H 0.955850 2.190657 -2.950621
H -0.567450 1.796224 -2.103563
H -1.491452 2.692617 2.194375
H -0.417898 1.371165 2.702606
H 1.913737 0.705017 2.299616
H -1.094485 4.716718 1.499026
H -1.047400 5.432197 -0.134136
H 0.456226 5.348258 0.851504
H 2.063615 -0.047327 -2.635149
H -0.694429 -0.900453 1.837531
H -2.874937 2.377895 -0.003474
H -4.240529 0.691803 -1.310190
H 1.834662 -2.773313 1.991361
H 3.529364 -3.248763 2.404636
H 2.989181 -3.224562 0.674053
H 5.322467 -2.648685 -1.518064
H 5.148927 -1.714393 0.026983
H 5.337420 -0.841873 -1.546711
H -0.314783 -2.958684 -0.877793
H -1.957952 -3.372817 -1.512233
H -1.108621 -4.507279 -0.382400
H -4.145137 -3.492556 0.152152
H -5.266169 -3.522386 -1.274023
H -5.553373 -2.359513 0.079020


