%chk=000003792.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000003792

0 1
 O   -4.948000      0.6137000     -0.5750000    
 O    5.923000      -1.117600       1.544200    
 O    5.998700      -2.083000      -1.061000    
 O    1.496500       1.358100       1.762600    
 N   -6.511100      -2.547900      0.4957000    
 N    1.220500       2.076400     -0.4254000    
 C   -6.214900      -1.404400     -0.3666000    
 C   -1.192100       2.377400     -0.2729000    
 C   -5.218900     -0.4710000      0.3029000    
 C   0.1540000       3.009600     -0.1643000    
 C   -3.710800       1.194800     -0.4758000    
 C   -1.860600       2.365700      -1.497000    
 C   -1.783000       1.797700      0.8499000    
 C   -3.119900       1.774300      -1.598600    
 C   -3.042300       1.206600      0.7485000    
 C    2.915500      0.4212000      0.1480000    
 C    1.810800       1.317600      0.5759000    
 C   -7.471800      -2.171500       1.532100    
 C   -7.024600      -3.665300     -0.2958000    
 C    3.914900      6.4400002E-02   1.053300    
 C    2.954000     -6.2700003E-02  -1.159700    
 C    4.952700     -0.7765000      0.6510000    
 C    4.991100      -1.260400     -0.6566000    
 C    3.991800     -0.9035000      -1.561900    
 C    5.810100     -0.5805000       2.860600    
 C    5.964300      -2.533500      -2.413900    
 H   -5.753500      -1.741800      -1.305200    
 H   -7.120800     -0.8619000     -0.6686000    
 H   -5.622300     -6.0500000E-02   1.234400    
 H   -4.310200      -1.047300      0.5242000    
 H   0.2534000       3.830100     -0.8846000    
 H   0.2910000       3.451500      0.8301000    
 H   -1.410300       2.812100      -2.379600    
 H   -1.278600       1.807800       1.812300    
 H   -3.635700       1.767400      -2.554900    
 H   -3.478000      0.7924000       1.652700    
 H    1.563100       2.033900      -1.379000    
 H   -8.418400      -1.813100       1.111100    
 H   -7.692700      -3.031400       2.175200    
 H   -7.072000      -1.397200       2.193800    
 H   -6.281700      -3.991600      -1.032300    
 H   -7.947900      -3.405800     -0.8266000    
 H   -7.226900      -4.530800      0.3451000    
 H    3.842800      0.4728000       2.055500    
 H    2.179200      0.1642000      -1.886000    
 H    3.953500      -1.247000      -2.590000    
 H    5.886400      0.5122000       2.859100    
 H    4.906000     -0.9363000       3.366300    
 H    6.663000     -0.9565000       3.435500    
 H    5.081500      -3.151000      -2.611200    
 H    6.057000      -1.700600      -3.119200    
 H    6.839800      -3.174200      -2.562400    


%chk=000003792-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000003792

0 1
O -5.141175 0.383927 -0.662756
O 6.821998 -0.328527 1.257307
O 6.521166 -2.042621 -0.739241
O 2.353081 2.186784 1.732867
N -7.413161 -2.489002 0.065542
N 1.211846 1.778555 -0.250979
C -6.941172 -1.204328 -0.501814
C -1.267320 2.040892 -0.125848
C -5.489370 -0.927400 -0.087389
C 0.098766 2.686618 0.072025
C -3.842977 0.870594 -0.446240
C -2.285184 2.708119 -0.855226
C -1.564881 0.775451 0.435010
C -3.561933 2.136768 -1.015520
C -2.837835 0.183949 0.282158
C 3.323745 0.583907 0.186256
C 2.271190 1.567876 0.620315
C -7.825506 -2.381884 1.480846
C -8.452155 -3.137607 -0.759990
C 4.543016 0.598190 0.915049
C 3.164285 -0.344734 -0.866571
C 5.593308 -0.279159 0.595092
C 5.430566 -1.210650 -0.485256
C 4.211219 -1.234538 -1.198437
C 7.011094 0.601304 2.375876
C 6.391188 -3.006820 -1.834924
H -6.977386 -1.265265 -1.604216
H -7.579571 -0.337954 -0.201508
H -5.378401 -0.891279 1.015284
H -4.824802 -1.717315 -0.488253
H 0.166285 3.608389 -0.540191
H 0.262309 2.984855 1.124869
H -2.077157 3.688541 -1.301778
H -0.790320 0.245544 1.001898
H -4.350951 2.647264 -1.576211
H -3.034390 -0.794994 0.729164
H 1.205357 1.323589 -1.164038
H -8.730542 -1.738249 1.624251
H -8.052925 -3.387430 1.877335
H -7.008841 -1.958955 2.090856
H -8.076883 -3.283390 -1.788130
H -9.406501 -2.554997 -0.816814
H -8.688454 -4.132177 -0.340312
H 4.618230 1.314604 1.738084
H 2.222843 -0.424845 -1.421889
H 4.064848 -1.951748 -2.011181
H 6.944729 1.653819 2.038964
H 6.267905 0.422708 3.176626
H 8.023426 0.391213 2.750257
H 5.569727 -3.724675 -1.644322
H 6.222692 -2.496011 -2.803037
H 7.352575 -3.539805 -1.857960


