%chk=000133424.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000133424

0 1
 O  -0.2443000      0.8399000     -0.6728000    
 O   -1.188400     -0.8039000       2.112400    
 O   0.1621000       2.186100       1.186300    
 N   -6.415200       2.667500     -0.5052000    
 N   -6.430500      0.7714000      0.8605000    
 N    6.030500      0.6011000     -0.7969000    
 N    8.106100     -0.2063000     -9.2500001E-02
 N    6.365600     -0.3985000       1.371000    
 C   -2.324100      0.1611000      0.3098000    
 C   -1.582200       1.011900     -0.4769000    
 C   -3.675500      0.3256000      0.5153000    
 C   -4.319100       1.399500     -9.9600002E-02
 C   -1.653600     -0.9946000      0.9788000    
 C   -2.225700       2.085800      -1.091800    
 C   -1.538200      -2.300100      0.3490000    
 C   -3.594100       2.279700     -0.9030000    
 C    2.000200       1.260600     -1.7400000E-02
 C   -2.063400      -2.508200     -0.9263000    
 C  -0.9020000      -3.344400       1.020200    
 C   -5.745700       1.603300      9.6100003E-02
 C   0.5607000       1.494600      0.2612000    
 C    2.913100       2.240100      0.3161000    
 C    2.380300      6.9499999E-02 -0.6012000    
 C   -1.952200      -3.760600      -1.530500    
 C  -0.7905000      -4.596600      0.4160000    
 C    4.674900      0.8231000     -0.5352000    
 C    4.265200       2.019000      5.4299999E-02
 C    3.732400     -0.1517000     -0.8628000    
 C   -1.315700      -4.804800     -0.8594000    
 C    6.769100      2.9899999E-02  0.1248000    
 H   -4.215000     -0.3748000       1.146600    
 H   -1.667000       2.774900      -1.719600    
 H   -4.043700       3.129800      -1.404000    
 H   -2.565600      -1.724000      -1.484500    
 H  -0.4841000      -3.208400       2.014100    
 H    2.605800       3.176400      0.7724000    
 H    1.667300     -0.7101000     -0.8524000    
 H   -2.360700      -3.923200      -2.523700    
 H  -0.2949000      -5.409800      0.9383000    
 H    4.991800       2.785000      0.3124000    
 H    4.042300      -1.088000      -1.319800    
 H   -1.228900      -5.779800      -1.329900    
 H   -7.410900       2.793700     -0.3553000    
 H   -5.968200       3.350300      -1.104100    
 H   -7.409100       1.079200      0.8756000    
 H    8.548800      5.5300001E-02 -0.9667000    
 H    8.688100     -0.6461000      0.6119000    
 H    7.021100     -0.8318000       2.012500    
 H    5.408800     -0.3000000       1.691700    


%chk=000133424-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000133424

0 1
O -0.565762 0.723782 -0.048692
O -2.637479 -1.693326 2.120172
O 0.302374 2.786324 -0.815228
N -6.669740 2.996043 0.254622
N -6.998054 0.593840 0.252949
N 5.646540 -0.874429 -0.005988
N 7.941766 -1.035252 0.308252
N 6.834613 0.838112 1.219014
C -2.794288 0.011684 0.439162
C -1.947008 1.041086 -0.068700
C -4.180403 0.257912 0.536060
C -4.748340 1.477751 0.099122
C -2.283345 -1.312426 0.962787
C -2.494006 2.269465 -0.510854
C -1.435061 -2.193854 0.095488
C -3.888030 2.469984 -0.433405
C 1.801419 0.942276 -0.294017
C -1.348334 -2.011136 -1.309769
C -0.744736 -3.278400 0.701931
C -6.231119 1.666263 0.211536
C 0.491994 1.607295 -0.427716
C 2.964114 1.700891 -0.607747
C 1.955268 -0.416070 0.107570
C -0.577545 -2.894603 -2.094471
C 0.034553 -4.152898 -0.081051
C 4.409307 -0.227093 -0.076268
C 4.242906 1.135599 -0.500495
C 3.231129 -0.987251 0.205260
C 0.120363 -3.962316 -1.482353
C 6.752028 -0.343929 0.486231
H -4.844850 -0.508564 0.944981
H -1.836992 3.046420 -0.900161
H -4.295988 3.407970 -0.827821
H -1.893120 -1.188857 -1.785556
H -0.841352 -3.413740 1.784467
H 2.836030 2.735937 -0.943133
H 1.069630 -1.013608 0.335778
H -0.518231 -2.751976 -3.178834
H 0.570805 -4.982482 0.392893
H 5.122997 1.721501 -0.791030
H 3.354718 -2.033733 0.500019
H 0.725117 -4.642535 -2.092689
H -7.665860 3.202355 0.288970
H -6.020494 3.763431 0.413192
H -8.010068 0.810986 0.366718
H 7.888340 -1.907694 -0.210573
H 8.831434 -0.720545 0.682549
H 7.690487 1.136108 1.679578
H 5.977972 1.352302 1.413047


