%chk=000051021.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000051021

0 1
 O   -1.099600      -2.139500     -0.1548000    
 O   -3.228700     -0.3329000      2.2000000E-02
 O    1.331100      -1.204200      0.8275000    
 O   0.8671000       1.535400      0.9071000    
 N   -4.702000       3.013900     -0.3770000    
 C   -2.436500      -2.591900      8.9999996E-03
 C  -0.1698000      -3.033600      0.4448000    
 C   -3.379500      -1.589200     -0.6276000    
 C    1.234400      -2.499300      0.2379000    
 C   -4.075600      0.6540000     -0.5501000    
 C    2.219400     -0.3349000      0.2699000    
 C   -3.864800       1.966300      0.1880000    
 C    1.986200       1.039900      0.3091000    
 C    3.369800     -0.8298000     -0.3445000    
 C    2.903500       1.919400     -0.2658000    
 C    4.287100      4.9800001E-02 -0.9193000    
 C    4.054000       1.424400     -0.8801000    
 C   0.7038000       2.952300      0.9040000    
 H   -2.558600      -3.572100     -0.4646000    
 H   -2.655800      -2.675900       1.079800    
 H  -0.3838000      -3.098500       1.518000    
 H  -0.2625000      -4.028700     -3.8999999E-03
 H   -4.414100      -1.936300     -0.5311000    
 H   -3.132400      -1.472800      -1.689300    
 H    1.410500      -2.452500     -0.8447000    
 H    1.962000      -3.170400      0.7069000    
 H   -5.120800      0.3329000     -0.4637000    
 H   -3.830700      0.7740000      -1.612600    
 H   -2.811200       2.261600      0.1280000    
 H   -4.090400       1.837300       1.252800    
 H    3.605800      -1.889400     -0.3729000    
 H    2.788700       2.997800     -0.2727000    
 H    5.186400     -0.3346000      -1.391900    
 H    4.769800       2.108500      -1.326700    
 H   -4.583800       3.870100      0.1629000    
 H   -5.683700       2.754600     -0.2899000    
 H  -0.2381000       3.168800       1.419000    
 H   0.6063000       3.345000     -0.1138000    
 H    1.497700       3.451400       1.469800    


%chk=000051021-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000051021

0 1
O -1.351268 -2.116840 -0.211618
O -3.884610 -0.411088 -0.024004
O 1.350333 -0.813774 0.469256
O 1.835832 1.543042 1.566716
N -5.785595 2.565824 -1.210182
C -2.636510 -2.440930 0.415271
C -0.218562 -2.644985 0.549888
C -3.749667 -1.814367 -0.412675
C 1.064553 -2.141529 -0.094192
C -4.816991 0.323132 -0.885338
C 2.478577 -0.142057 -0.013881
C -4.812400 1.786337 -0.420618
C 2.740805 1.137065 0.577603
C 3.345895 -0.634616 -1.014562
C 3.857636 1.887553 0.149469
C 4.464372 0.126673 -1.435466
C 4.719175 1.383341 -0.856654
C 2.053228 2.858637 2.168512
H -2.769852 -3.546965 0.453372
H -2.679454 -2.042046 1.451412
H -0.255615 -2.307739 1.607588
H -0.235973 -3.759486 0.530816
H -4.707914 -2.352293 -0.227517
H -3.498766 -1.905484 -1.491985
H 0.925209 -2.079435 -1.191968
H 1.909027 -2.826216 0.130912
H -5.842549 -0.109078 -0.803246
H -4.504420 0.266830 -1.949422
H -3.802705 2.199306 -0.591959
H -4.987672 1.806529 0.679103
H 3.157337 -1.608489 -1.475601
H 4.065897 2.865633 0.593729
H 5.124748 -0.269793 -2.213930
H 5.580947 1.977788 -1.178070
H -5.567952 3.559291 -1.307621
H -6.766490 2.400600 -0.970094
H 1.232753 2.978659 2.891054
H 2.003397 3.663938 1.409183
H 3.026443 2.907927 2.696221


