%chk=000053231.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000053231

0 1
 O    1.742000       1.843200     -0.4054000    
 N    3.074300     -4.4999998E-03  3.0200001E-02
 N  -0.5333000      0.4957000     -0.6363000    
 C   0.6452000     -0.2853000     -0.3474000    
 C   -1.809300      0.1456000     -0.2231000    
 C    4.327100      0.7366000      0.1561000    
 C    3.185300      -1.446200      0.2140000    
 C    1.855300      0.6247000     -0.2469000    
 C   -2.115300      -1.180600      0.1423000    
 C   -2.839400       1.104900     -0.1569000    
 C    4.564300       1.174000       1.591600    
 C    3.460600      -2.148200      -1.105000    
 C   -3.399600      -1.533200      0.5568000    
 C   -4.123600      0.7522000      0.2579000    
 C   -1.060400      -2.237700      9.0400003E-02
 C   -2.569500       2.525800     -0.5328000    
 C   -4.403700     -0.5670000      0.6146000    
 H   0.8431000      -1.010500      -1.134300    
 H   0.5966000     -0.6702000      0.6700000    
 H    5.158400      0.1253000     -0.2105000    
 H    4.268800       1.627900     -0.4788000    
 H    3.996200      -1.654200      0.9217000    
 H    2.281400      -1.862000      0.6639000    
 H  -0.3997000       1.407000      -1.058600    
 H    3.745300       1.805700       1.951200    
 H    4.638700      0.3120000       2.262300    
 H    5.494700       1.745400       1.666000    
 H    2.682900      -1.955600      -1.848900    
 H    4.411700      -1.816500      -1.534800    
 H    3.522000      -3.230100     -0.9506000    
 H   -3.636700      -2.555000      0.8412000    
 H   -4.918100       1.492000      0.3086000    
 H   -1.558500      -3.216500      0.1731000    
 H  -0.5785000      -2.326400     -0.8840000    
 H  -0.3938000      -2.242800      0.9541000    
 H   -1.763000       2.941700      8.0300003E-02
 H   -2.299500       2.598200      -1.591500    
 H   -3.449000       3.160700     -0.3779000    
 H   -5.403500     -0.8413000      0.9379000    


%chk=000053231-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000053231

0 1
O 1.647210 1.707645 -0.655657
N 3.081031 0.006705 0.020447
N -0.554447 0.208661 -0.717220
C 0.629151 -0.478018 -0.202919
C -1.864585 -0.028620 -0.238019
C 4.242149 0.929170 -0.065034
C 3.344578 -1.385430 0.449503
C 1.828829 0.496669 -0.294451
C -2.381453 -1.357088 -0.095471
C -2.702976 1.100489 0.056427
C 4.510696 1.663518 1.265387
C 3.801799 -2.303229 -0.706895
C -3.695710 -1.529022 0.403437
C -4.015723 0.879893 0.528862
C -1.597656 -2.573437 -0.563541
C -2.183176 2.515444 -0.134207
C -4.515758 -0.426861 0.724999
H 0.871446 -1.401764 -0.766854
H 0.489686 -0.779656 0.859806
H 5.125602 0.338017 -0.371000
H 4.024967 1.664524 -0.857701
H 4.125935 -1.352581 1.232755
H 2.442513 -1.800275 0.929996
H -0.321596 1.179838 -0.964159
H 3.643269 2.289066 1.535499
H 4.704004 0.953787 2.090852
H 5.393921 2.320918 1.167398
H 3.021281 -2.383323 -1.483899
H 4.718371 -1.913901 -1.184625
H 4.019182 -3.318698 -0.328204
H -4.087403 -2.548517 0.510288
H -4.647379 1.747199 0.757870
H -2.264138 -3.449155 -0.647661
H -1.149088 -2.386843 -1.557633
H -0.774340 -2.855297 0.121584
H -1.234630 2.687194 0.411439
H -1.984489 2.746920 -1.200340
H -2.919549 3.253086 0.226698
H -5.532024 -0.582228 1.102746


