%chk=000053955.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000053955

0 1
 O   -1.539400       1.793800      -1.392100    
 N   -2.573400     -0.3510000     -8.6000003E-02
 N   0.6551000       1.263600     -0.7527000    
 C   -1.177100     -0.3976000     -0.5074000    
 C    1.528100      0.3150000     -9.0899996E-02
 C   -2.737500      0.5559000       1.050900    
 C   -3.051500      -1.690600      0.2588000    
 C  -0.7243000      0.9976000     -0.9189000    
 C    2.148100     -0.6378000     -0.8567000    
 C    1.687900      0.4197000       1.266200    
 C    1.256700       2.549100      -1.140300    
 C   -4.187300      0.6149000       1.501300    
 C   -2.950000      -2.632300     -0.9291000    
 C    2.988100      -1.551200     -0.2196000    
 C    2.527900     -0.4935000       1.903300    
 C    1.965000     -0.7407000      -2.336300    
 C    1.005800       1.464200       2.089300    
 C    3.177900      -1.479100       1.160300    
 H  -0.5744000     -0.8316000      0.2922000    
 H   -1.050600      -1.005100      -1.408500    
 H   -2.113800      0.2488000       1.900500    
 H   -2.453600       1.582800      0.8028000    
 H   -2.510600      -2.112800       1.115100    
 H   -4.115000      -1.671800      0.5169000    
 H   -4.870500      0.7626000      0.6578000    
 H   -4.491800     -0.2756000       2.059800    
 H   -4.323300       1.464500       2.180500    
 H   -3.371500      -2.187700      -1.837100    
 H   -1.920000      -2.942700      -1.130100    
 H   -3.515900      -3.547600     -0.7213000    
 H   0.6584000       3.010300      -1.931100    
 H    2.278200       2.397400      -1.500100    
 H    1.258200       3.214200     -0.2728000    
 H    3.501200      -2.326300     -0.7827000    
 H    2.688000     -0.4495000       2.977300    
 H    2.151900      0.2214000      -2.823700    
 H    2.666200      -1.457000      -2.779300    
 H   0.9550000      -1.080000      -2.581300    
 H   0.9677000       1.173500       3.145300    
 H    1.550600       2.411100       2.022300    
 H  -2.9300001E-02   1.624500       1.778800    
 H    3.831900      -2.190300       1.656400    


%chk=000053955-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000053955

0 1
O -1.328494 2.779680 0.578491
N -2.259774 -0.288011 0.312938
N 0.552338 1.529207 0.006695
C -1.333527 0.425783 1.243775
C 1.328884 0.301510 -0.006101
C -3.510905 0.496957 0.068191
C -2.558429 -1.666716 0.804168
C -0.707801 1.666305 0.587386
C 1.222516 -0.578684 -1.120985
C 2.227594 0.044280 1.069475
C 1.172027 2.703852 -0.643556
C -4.209066 0.106406 -1.247239
C -1.397522 -2.661048 0.618826
C 2.047796 -1.730236 -1.143863
C 3.030744 -1.121306 1.011710
C 0.218404 -0.315896 -2.225436
C 2.306940 0.980320 2.262442
C 2.946343 -2.001487 -0.089352
H -1.865623 0.787887 2.156114
H -0.549694 -0.281501 1.558021
H -4.220064 0.382468 0.926873
H -3.233744 1.563970 0.028958
H -2.873838 -1.645657 1.879229
H -3.427926 -2.034679 0.230453
H -3.529293 0.268915 -2.102373
H -4.527759 -0.952067 -1.260255
H -5.111366 0.728395 -1.396065
H -1.114860 -2.727787 -0.445833
H -0.495071 -2.373022 1.187315
H -1.702231 -3.666137 0.965827
H 0.481745 3.554946 -0.532162
H 1.348377 2.508662 -1.717292
H 2.140979 2.945034 -0.168950
H 1.978541 -2.417997 -1.994773
H 3.725512 -1.333950 1.832633
H 0.355346 0.680269 -2.685421
H 0.300573 -1.073849 -3.023194
H -0.807574 -0.342941 -1.807157
H 3.122858 0.682116 2.942313
H 2.481169 2.027678 1.956280
H 1.365224 0.977870 2.844164
H 3.577752 -2.896438 -0.124469


