%chk=000125515.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000125515

0 1
 O   0.1378000       1.410900      0.4474000    
 O    4.022200       2.535600      0.2294000    
 O    2.684500      -1.734200     -0.9628000    
 O   0.4546000      -3.147300      0.3616000    
 O   -1.695400      -2.519900     -0.1010000    
 N    1.298600     -0.6815000      0.6331000    
 C    2.532400      0.7274000     -0.2841000    
 C    1.410600      0.7814000      0.7743000    
 C    2.277700     -0.7975000     -0.3131000    
 C    3.911900       1.112600      0.1949000    
 C  -2.9800000E-02 -0.8969000      0.3989000    
 C  -0.6867000      0.2694000      0.3232000    
 C    4.991500      0.5525000     -0.7241000    
 C   -2.103400      0.5261000      5.8899999E-02
 C  -0.5389000      -2.245500      0.1888000    
 C   -3.019100      0.5972000       1.115700    
 C   -2.557900      0.7034000      -1.253500    
 C   -4.369000      0.8416000      0.8640000    
 C   -3.908000      0.9478000      -1.505200    
 C   -4.813500       1.016900     -0.4464000    
 H    2.261100       1.199500      -1.237700    
 H    1.734800       1.066500       1.783400    
 H    4.101900      0.7448000       1.210200    
 H    5.975500      0.9353000     -0.4319000    
 H    5.028000     -0.5399000     -0.6981000    
 H    4.824600      0.8681000      -1.760100    
 H    3.359600       2.864600      0.8606000    
 H   -2.689000      0.4629000       2.143300    
 H   -1.865000      0.6524000      -2.090400    
 H   0.1432000      -4.067700      0.2263000    
 H   -5.074300      0.8953000       1.688200    
 H   -4.254300       1.084300      -2.525500    
 H   -5.864700       1.207100     -0.6424000    


%chk=000125515-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000125515

0 1
O 0.111055 1.201111 -0.019938
O 4.046650 2.553124 -0.383044
O 2.750088 -2.054941 -0.653663
O 0.507905 -3.014780 1.778814
O -1.736488 -2.749444 1.251835
N 1.298356 -0.652606 0.760624
C 2.608009 0.544126 -0.477563
C 1.446442 0.800707 0.529067
C 2.316027 -0.979971 -0.227694
C 4.007393 1.095826 -0.137650
C -0.112244 -0.976314 0.780382
C -0.798826 0.137603 0.268961
C 5.091005 0.485641 -1.029483
C -2.193652 0.471142 -0.035554
C -0.566229 -2.274602 1.264391
C -3.253937 -0.477461 0.065883
C -2.492545 1.800113 -0.468940
C -4.571537 -0.096653 -0.258669
C -3.811437 2.165148 -0.795087
C -4.859167 1.218763 -0.691077
H 2.333124 0.838037 -1.506126
H 1.634397 1.430552 1.415944
H 4.230902 0.882920 0.931414
H 6.080183 0.878267 -0.741338
H 5.096869 -0.614327 -0.942343
H 4.907231 0.753874 -2.084656
H 3.458492 3.020971 0.263686
H -3.038523 -1.495097 0.403211
H -1.683539 2.530917 -0.545304
H 0.163386 -3.905995 2.056448
H -5.376647 -0.834472 -0.175006
H -4.024845 3.186525 -1.128047
H -5.886396 1.504498 -0.943575


