%chk=000131047.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000131047

0 1
 O    1.451600      0.4731000      -1.822900    
 O   -1.937800       2.233200      -1.128700    
 O  -0.8749000       2.180700      0.8726000    
 O   -1.498300      -2.837400       1.064600    
 O   -1.725900      -2.574700      -1.111100    
 O   -5.283500       1.088500     -0.3305000    
 O   -4.065600      0.9757000       1.581100    
 N   0.2785000     -0.1403000      8.4500000E-02
 N    2.852400      -1.773700     -0.1229000    
 N   -1.742200      -2.162300      5.6000002E-02
 C    3.934600      0.4161000     -0.4230000    
 C    2.693900     -0.3327000      8.9599997E-02
 C   -1.047900      0.1273000     -0.4226000    
 C    5.236900      9.6799999E-02  0.3425000    
 C   -2.107400     -0.7381000      0.2633000    
 C    1.428200      5.7200000E-02 -0.6659000    
 C   -3.544900     -0.5534000     -0.2234000    
 C    6.451700      0.8205000     -0.2401000    
 C    5.072400      0.4713000       1.818200    
 C   -1.270500       1.600000     -0.1309000    
 C   -4.301100      0.5724000      0.4494000    
 H    3.741100       1.496400     -0.3765000    
 H    4.089100      0.1903000      -1.487300    
 H    2.533800     -0.1284000       1.152800    
 H   -1.036600     -1.8600000E-02  -1.509800    
 H    5.448600     -0.9768000      0.2794000    
 H   -2.063100     -0.5762000       1.349200    
 H   0.3679000     -0.4347000       1.053000    
 H   -4.143100      -1.455800     -3.9900001E-02
 H   -3.548600     -0.3763000      -1.306400    
 H    6.595200      0.5475000      -1.290700    
 H    7.364600      0.5546000      0.3031000    
 H    6.327900       1.907500     -0.1868000    
 H    4.738600       1.508100       1.934300    
 H    6.024400      0.3662000       2.350700    
 H    4.357800     -0.1827000       2.326300    
 H    3.635400      -2.121300      0.4281000    
 H    2.030300      -2.262000      0.2323000    
 H   -2.065200       3.186600     -0.9362000    
 H   -5.766400       1.813400      0.1209000    


%chk=000131047-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000131047

0 1
O 1.252651 -0.264089 -1.661196
O -2.535816 2.496423 -0.619619
O -1.222576 2.602763 1.297815
O -0.422493 -2.162337 0.871163
O -1.490155 -2.509068 -1.116249
O -5.586962 0.205054 -0.633351
O -4.343868 0.686441 1.267200
N 0.352031 0.528071 0.326667
N 2.772823 -1.847487 0.469927
N -1.250371 -1.822491 -0.057578
C 3.921716 0.218483 -0.323337
C 2.671620 -0.372959 0.366681
C -0.974173 0.688082 -0.240409
C 5.260504 -0.107397 0.386921
C -1.977806 -0.480960 0.145508
C 1.396833 -0.007680 -0.426572
C -3.288197 -0.458239 -0.659292
C 6.445124 0.377433 -0.481672
C 5.333088 0.510862 1.803422
C -1.564795 2.014739 0.253296
C -4.411190 0.204058 0.114197
H 3.801072 1.319564 -0.392006
H 3.945042 -0.160229 -1.365224
H 2.590155 0.032017 1.394423
H -0.868770 0.699373 -1.340801
H 5.319992 -1.208370 0.493660
H -2.176243 -0.433299 1.231249
H 0.489900 0.776955 1.309043
H -3.593523 -1.488363 -0.918516
H -3.172344 0.065103 -1.623916
H 6.421261 -0.081754 -1.487928
H 7.413301 0.119149 -0.013591
H 6.416905 1.477215 -0.611672
H 5.198842 1.610015 1.761700
H 6.316193 0.309467 2.268014
H 4.561202 0.091560 2.473881
H 2.908491 -2.279111 -0.453968
H 1.972353 -2.276414 0.953865
H -2.931278 3.335645 -0.257249
H -6.318637 0.629775 -0.108183


