%chk=000047781.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000047781

0 1
 O    1.351600      -2.299200       1.019700    
 O   -1.503100      -1.014800      -1.810200    
 O    2.828700      -3.052800     -0.5582000    
 N   -2.037800      0.2758000      4.7600001E-02
 C   0.2394000     -0.6363000     -0.2513000    
 C    1.039600      -1.546700      -1.183700    
 C   0.1706000      -1.489700       1.017000    
 C   -1.175600     -0.4802000     -0.7476000    
 C   0.9302000      0.7202000     -0.1107000    
 C    1.860800      -2.377900     -0.2425000    
 C   -3.145100       1.040200     -0.5122000    
 C   -1.893400      0.3562000       1.498900    
 C   0.5720000       1.777800     -0.9486000    
 C    1.920200      0.9045000      0.8561000    
 C    1.202100       3.015700     -0.8202000    
 C    2.550100       2.142400      0.9844000    
 C   -4.412300      0.2043000     -0.5762000    
 C   -2.689000     -0.7374000       2.191200    
 C    2.191000       3.197900      0.1463000    
 H    1.700300     -0.9934000      -1.858700    
 H   0.4353000      -2.251000      -1.764300    
 H   0.2163000     -0.9845000       1.979400    
 H  -0.6625000      -2.198500       1.016100    
 H   -3.301600       1.967700      4.7499999E-02
 H   -2.869100       1.320900      -1.535600    
 H  -0.8731000      0.4673000       1.838600    
 H   -2.327000       1.313600       1.820200    
 H  -0.1741000       1.664700      -1.729600    
 H    2.236200      0.1064000       1.519600    
 H   0.9271000       3.836000      -1.476800    
 H    3.322300       2.284100       1.735000    
 H   -4.238700     -0.7529000      -1.078300    
 H   -4.813600     -3.7000000E-03  0.4178000    
 H   -5.186100      0.7431000      -1.132600    
 H   -3.749800     -0.4764000       2.246200    
 H   -2.618600      -1.706500       1.691800    
 H   -2.342300     -0.8523000       3.223400    
 H    2.683000       4.161200      0.2449000    


%chk=000047781-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000047781

0 1
O 1.326295 -2.462840 0.717199
O -1.599917 -0.635173 -2.030631
O 2.800846 -3.038189 -0.985420
N -2.175742 0.362490 -0.028810
C 0.177963 -0.571657 -0.327533
C 0.967788 -1.384614 -1.398754
C 0.116749 -1.611258 0.842842
C -1.261181 -0.270737 -0.855778
C 0.967585 0.708224 0.015432
C 1.824393 -2.373456 -0.616517
C -3.535083 0.599277 -0.594777
C -1.921215 0.877511 1.337727
C 0.766248 1.885868 -0.751841
C 1.967456 0.715832 1.022488
C 1.525834 3.048859 -0.502090
C 2.728544 1.880370 1.271899
C -4.419732 -0.664878 -0.620587
C -2.698095 0.125947 2.440054
C 2.508672 3.052873 0.514976
H 1.598683 -0.758572 -2.046545
H 0.259435 -1.926652 -2.054122
H 0.144253 -1.164076 1.848384
H -0.769039 -2.265641 0.749878
H -4.007655 1.394858 0.009999
H -3.412596 0.972348 -1.627302
H -0.840967 0.845242 1.541216
H -2.201958 1.949883 1.355149
H 0.014507 1.890852 -1.550382
H 2.175719 -0.191216 1.600919
H 1.354325 3.949221 -1.102604
H 3.499510 1.865997 2.050282
H -3.954999 -1.436812 -1.255286
H -4.572203 -1.077518 0.392025
H -5.410164 -0.420733 -1.046722
H -3.789551 0.202564 2.292720
H -2.431061 -0.945481 2.461788
H -2.459821 0.562610 3.427085
H 3.100175 3.954477 0.708037


