%chk=000049612.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000049612

0 1
 O  -0.4050000      0.8752000     -0.3334000    
 N    2.934800      0.2270000      0.5016000    
 N    4.340000      -1.608800      0.6686000    
 N    4.430200     -0.4091000      -1.267200    
 C    1.443600       2.162500      0.4808000    
 C   -1.547100      0.1323000     -0.1845000    
 C   0.2091000       1.351900      0.8567000    
 C   -2.786400      0.7652000     -0.1706000    
 C   -1.459200      -1.249900     -4.7800001E-02
 C    2.463400       1.352300     -0.3070000    
 C   -3.948700      9.1000004E-03 -1.8400000E-02
 C   -2.621400      -2.005900      0.1043000    
 C   -3.866200      -1.376400      0.1191000    
 C   -2.895500       2.247400     -0.3156000    
 C  -0.1361000      -1.941900     -5.9799999E-02
 C    3.844600     -0.5309000     -2.6799999E-02
 H    1.138400       3.018700     -0.1329000    
 H    1.904600       2.557100       1.393700    
 H   0.4786000      0.5151000       1.510600    
 H  -0.4877000       1.996300       1.404900    
 H    2.016900      0.9949000      -1.242600    
 H    3.301700       2.013200     -0.5594000    
 H   -4.925300      0.4855000     -2.7000001E-03
 H   -2.573300      -3.086100      0.2149000    
 H   -4.771000      -1.965200      0.2387000    
 H   -2.192800       2.625700      -1.065600    
 H   -3.897000       2.542800     -0.6476000    
 H   -2.697000       2.738000      0.6421000    
 H  -0.2453000      -3.009400     -0.2810000    
 H   0.5197000      -1.527400     -0.8327000    
 H   0.3520000      -1.847000      0.9150000    
 H    4.004700      -1.829800       1.599900    
 H    5.051100      -2.213900      0.2730000    
 H    5.137600      -1.066400      -1.577700    
 H    4.180600      0.3312000      -1.913300    


%chk=000049612-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000049612

0 1
O -0.543757 1.052913 -0.537569
N 2.835943 0.088014 0.443772
N 4.377502 -1.502218 1.234148
N 4.712844 -0.636847 -0.921553
C 1.512525 2.151183 0.159006
C -1.654843 0.212662 -0.245547
C 0.226798 1.494370 0.659655
C -2.910535 0.797116 0.073900
C -1.477817 -1.195417 -0.351662
C 2.462327 1.142257 -0.522350
C -4.009798 -0.069553 0.300313
C -2.600245 -2.025341 -0.111123
C -3.858087 -1.470343 0.216549
C -3.071421 2.304338 0.154158
C -0.130901 -1.776107 -0.738796
C 3.911837 -0.633336 0.232605
H 1.255585 2.961035 -0.551132
H 2.030507 2.605307 1.025706
H 0.470988 0.616437 1.287297
H -0.388007 2.208826 1.244440
H 1.926729 0.707621 -1.394085
H 3.347871 1.697725 -0.915671
H -4.989116 0.363668 0.538688
H -2.484324 -3.113398 -0.187083
H -4.717054 -2.126985 0.395570
H -2.354778 2.808884 -0.515982
H -4.095716 2.607707 -0.124916
H -2.886713 2.678040 1.180675
H -0.149633 -2.878788 -0.686158
H 0.136859 -1.484251 -1.772034
H 0.684895 -1.404403 -0.091128
H 3.849085 -1.468488 2.104729
H 4.786050 -2.396880 0.966257
H 5.690843 -0.912847 -0.869193
H 4.400159 -0.129602 -1.744186


