%chk=000114126.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000114126

0 1
 O  -0.7631000      0.2906000      0.7418000    
 O    1.723700       2.833400      -1.318400    
 O  -0.7147000       1.600800      -1.186100    
 N   -2.406700      -1.495800     -0.5562000    
 C    3.180500     -0.7171000      0.3166000    
 C    4.075400      0.2556000     -0.1892000    
 C    1.306000      0.7126000     -0.2840000    
 C    1.798600     -0.4732000      0.2619000    
 C    3.562000       1.443400     -0.7349000    
 C    2.186000       1.668900     -0.7817000    
 C   -2.944100     -0.4548000      0.1075000    
 C   -4.338100     -0.2458000      0.1611000    
 C   -2.150400      0.4569000      0.7672000    
 C    3.694100      -1.904900      0.8624000    
 C    5.457500      1.2100000E-02 -0.1341000    
 C  -0.1337000      0.9296000     -0.3234000    
 C    5.070100      -2.130500      0.9084000    
 C   -4.864700      0.8518000      0.8631000    
 C    5.950100      -1.173800      0.4113000    
 C   -2.643200       1.544200       1.464900    
 C   -5.168200      -1.159700     -0.5018000    
 C   -4.017200       1.744200       1.513300    
 C   -4.617400      -2.233500      -1.186500    
 C   -3.242600      -2.354900      -1.183100    
 H    1.118200      -1.234900      0.6393000    
 H    4.244200       2.196500      -1.125900    
 H    3.025300      -2.666900       1.257200    
 H    6.164000      0.7458000     -0.5168000    
 H   -5.938800       1.017400      0.9074000    
 H   -1.976200       2.235800       1.970600    
 H    5.454400      -3.053400       1.332900    
 H    7.021200      -1.350000      0.4477000    
 H   -6.249100      -1.039700     -0.4882000    
 H   -4.427600       2.591000       2.054900    
 H   -5.244400      -2.949500      -1.704600    
 H   -2.755400      -3.174100      -1.701600    
 H    2.479100       3.372000      -1.610300    


%chk=000114126-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000114126

0 1
O -0.773271 0.871762 0.879049
O 1.838345 2.770602 -1.767209
O -0.786209 1.827294 -1.268968
N -2.088601 -1.013543 -0.726439
C 3.066261 -0.647314 0.440531
C 4.045466 0.092224 -0.330547
C 1.290885 0.900610 -0.322342
C 1.706694 -0.212078 0.421699
C 3.616582 1.234576 -1.075494
C 2.276607 1.636784 -1.078777
C -2.848231 -0.209413 0.108785
C -4.288437 -0.322282 0.216736
C -2.182721 0.776516 0.917447
C 3.485595 -1.791996 1.195732
C 5.411549 -0.344381 -0.312372
C -0.151456 1.261273 -0.366422
C 4.822676 -2.194432 1.195831
C -5.001704 0.517972 1.131106
C 5.790738 -1.462660 0.434580
C -2.893125 1.580599 1.806604
C -4.930446 -1.298798 -0.613740
C -4.311646 1.444752 1.915473
C -4.161402 -2.092253 -1.466442
C -2.739242 -1.917997 -1.481033
H 0.951246 -0.764491 0.987611
H 4.360318 1.805836 -1.647452
H 2.737507 -2.346604 1.774301
H 6.157412 0.211191 -0.893236
H -6.091331 0.423736 1.206607
H -2.350290 2.315594 2.408227
H 5.137694 -3.068829 1.774982
H 6.837379 -1.787044 0.441083
H -6.020051 -1.410305 -0.567751
H -4.854576 2.086195 2.617481
H -4.621000 -2.844026 -2.115387
H -2.116034 -2.541021 -2.133547
H 2.591621 3.202049 -2.244007


