%chk=000033062.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000033062

0 1
 O   0.4790000      -2.965800      0.1721000    
 O   -4.454500       2.349300     -4.9999999E-03
 O   -5.524600      0.4656000     -0.3848000    
 N    3.479400      3.5999998E-02 -4.9100000E-02
 N    2.363200     -0.6049000     -0.4320000    
 N   -4.471000       1.103400     -0.1479000    
 C    5.575000       1.063600     -0.4698000    
 C    4.809700       1.818500      0.6071000    
 C    4.628900     -3.2299999E-02 -0.9478000    
 C    3.362500       1.424200      0.3856000    
 C    1.672000      -1.023900      0.5690000    
 C   0.4010000      -1.751900      0.2888000    
 C  -0.8712000      -1.006400      0.1748000    
 C  -0.8623000      0.3673000      0.3314000    
 C   -2.037600      -1.701800     -8.5600004E-02
 C   -3.249800      0.3874000     -3.8100000E-02
 C   -2.062300       1.070400      0.2241000    
 C   -3.237400     -0.9987000     -0.1929000    
 H    5.832300       1.731800      -1.299300    
 H    6.506200      0.6518000     -6.6799998E-02
 H    5.145600       1.488700       1.598000    
 H    4.962700       2.899900      0.5419000    
 H    4.330400      0.1629000      -1.985100    
 H    5.105500      -1.017300     -0.9096000    
 H    2.775900       1.533800       1.303100    
 H    2.907900       2.042900     -0.3979000    
 H    1.922700     -0.8990000       1.637200    
 H   4.1999999E-02  0.9300000      0.5390000    
 H   -2.046600      -2.780800     -0.2091000    
 H   -2.033800       2.149700      0.3512000    
 H   -4.142900      -1.564300     -0.3980000    


%chk=000033062-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000033062

0 1
O 0.057962 -1.961753 2.385638
O -4.399402 1.247621 -2.502765
O -5.634731 -0.083957 -1.123919
N 3.283588 0.543336 0.136247
N 2.000395 0.186117 0.260611
N -4.512977 0.425364 -1.512257
C 5.084296 1.965016 -0.449661
C 5.656759 0.700179 0.251635
C 3.680705 1.517130 -0.911643
C 4.432793 0.069371 0.958562
C 1.632091 -0.680007 1.209959
C 0.250757 -1.128589 1.429748
C -0.943140 -0.674289 0.612581
C -0.877042 0.225596 -0.487392
C -2.207141 -1.205019 0.996606
C -3.281499 0.043638 -0.777035
C -2.044959 0.587289 -1.185949
C -3.381140 -0.853377 0.310246
H 4.999540 2.797619 0.271656
H 5.712193 2.301490 -1.290576
H 6.060705 -0.001301 -0.500140
H 6.464730 0.939252 0.962108
H 2.944099 2.335907 -0.959242
H 3.715480 1.020463 -1.901869
H 4.469386 -1.037015 0.975960
H 4.318165 0.421687 2.004326
H 2.342995 -1.131905 1.920455
H 0.091620 0.632044 -0.782587
H -2.231971 -1.896685 1.844372
H -2.017421 1.276474 -2.034043
H -4.358937 -1.251594 0.592868


