%chk=000053186.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000053186

0 1
 O    3.810100       2.103100      -1.354500    
 O   -2.264700       1.185600       1.938800    
 O   -5.754700     -8.8799998E-02  -1.043900    
 O  -0.3240000      -1.561400       1.730000    
 O    3.875500      -2.577800      0.6792000    
 N    4.231100     -0.4711000     -0.3167000    
 C   0.6175000     -1.0200000E-02  0.2541000    
 C   -1.906800     -0.5570000      0.3311000    
 C  -0.5057000     -0.7440000      0.8154000    
 C    2.964600      0.1183000     -0.3043000    
 C    1.887800     -0.5859000      0.2346000    
 C    2.771000       1.398300     -0.8237000    
 C   0.4240000       1.269900     -0.2651000    
 C   -2.706100      0.3956000      0.9198000    
 C    1.500700       1.974100     -0.8040000    
 C   -2.341800      -1.360300     -0.6991000    
 C   -4.011100      0.5545000      0.4538000    
 C   -4.481500     -0.2440000     -0.5887000    
 C   -3.646900      -1.201500      -1.165100    
 C    4.599700      -1.735400      0.1587000    
 C    4.547400       2.938100     -0.4645000    
 C   -3.186700       2.136700       2.466900    
 C    6.071200      -1.999000     -4.0399998E-02
 C   -6.170400     -0.9379000      -2.112400    
 H    1.974400      -1.581900      0.6439000    
 H  -0.5473000       1.753800     -0.2648000    
 H    1.342700       2.971100      -1.206700    
 H   -1.695100      -2.107000      -1.150300    
 H   -4.712000       1.278600      0.8557000    
 H   -3.947400      -1.854600      -1.977300    
 H    4.968700      9.6699998E-02 -0.7284000    
 H    4.972200       2.353800      0.3579000    
 H    3.906700       3.732000     -6.7900002E-02
 H    5.366000       3.397600      -1.025300    
 H   -3.472500       2.882100       1.716900    
 H   -2.668900       2.676000       3.267000    
 H   -4.054100       1.648600       2.924300    
 H    6.304900      -1.997000      -1.108700    
 H    6.333400      -2.974000      0.3797000    
 H    6.658800      -1.226800      0.4641000    
 H   -5.583400     -0.7598000      -3.019800    
 H   -7.207900     -0.6780000      -2.347000    
 H   -6.164600      -1.992000      -1.814300    


%chk=000053186-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000053186

0 1
O 4.092762 2.055394 -0.477241
O -1.527124 0.721600 1.309326
O -5.996381 0.317521 -0.498443
O -0.283189 -2.604953 -0.576259
O 4.023913 -2.622898 1.094776
N 4.356338 -0.409763 0.386711
C 0.655594 -0.398308 -0.424697
C -1.918021 -0.858529 -0.464093
C -0.496719 -1.355123 -0.464541
C 3.049299 -0.040366 -0.022691
C 1.922756 -0.887182 -0.006751
C 2.900579 1.305395 -0.491362
C 0.525933 0.936266 -0.877097
C -2.432357 0.161557 0.400935
C 1.649252 1.788176 -0.922092
C -2.835386 -1.518171 -1.316041
C -3.795772 0.521629 0.358908
C -4.671269 -0.134469 -0.540107
C -4.198797 -1.170036 -1.383163
C 4.786543 -1.630173 0.907348
C 4.038360 3.439614 -0.951688
C -2.032702 1.703260 2.271636
C 6.277204 -1.684860 1.241350
C -6.967771 -0.342377 -1.376914
H 2.024874 -1.922245 0.325113
H -0.448321 1.306296 -1.210378
H 1.541780 2.812423 -1.290425
H -2.445993 -2.331675 -1.936991
H -4.217964 1.287450 1.013869
H -4.862875 -1.698369 -2.071790
H 5.048296 0.337434 0.280639
H 3.351888 4.044972 -0.329874
H 3.721268 3.482905 -2.010832
H 5.065000 3.821658 -0.853757
H -2.427988 2.603822 1.762537
H -1.159909 1.973579 2.883438
H -2.820022 1.263592 2.913703
H 6.744971 -2.494726 0.655057
H 6.395467 -1.944208 2.307552
H 6.816164 -0.742599 1.040597
H -6.696363 -0.215326 -2.442554
H -7.924270 0.161056 -1.174298
H -7.054247 -1.420144 -1.140416


