%chk=000055864.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000055864

0 1
 O   0.8555000      -4.456700     -0.6728000    
 N    2.855400       1.527800     -0.3558000    
 C   0.5698000       1.303000      0.7221000    
 C    2.071500      0.8721000      0.7124000    
 C  -0.1263000      0.4297000     -0.3679000    
 C   0.3615000       2.807000      0.5544000    
 C    1.872600     -0.6068000      0.4505000    
 C   0.6491000     -0.8544000     -0.1933000    
 C    1.234000       3.385700     -0.5459000    
 C    2.690900       2.987800     -0.3398000    
 C   -1.625300      0.3200000     -0.1961000    
 C    2.735100      -1.649400      0.7572000    
 C   0.3034000      -2.137200     -0.5945000    
 C    4.283200       1.205300     -0.2673000    
 C   -2.475900      0.6919000      -1.237100    
 C   -2.157100     -0.1537000       1.003400    
 C    1.176700      -3.185900     -0.3009000    
 C    2.380000      -2.945000      0.3777000    
 C   -3.858100      0.5901000      -1.078700    
 C   -3.539200     -0.2555000       1.161700    
 C   -4.389700      0.1164000      0.1207000    
 C   -5.867200      7.8999996E-03  0.2900000    
 H   0.1680000       1.041500       1.713200    
 H    2.505300       1.048900       1.705000    
 H   0.1075000      0.8164000      -1.368500    
 H   0.6214000       3.301900       1.499400    
 H  -0.6917000       3.039700      0.3627000    
 H   0.8854000       3.044000      -1.527800    
 H    1.148000       4.478500     -0.5439000    
 H    3.275300       3.435700      -1.153100    
 H    3.065100       3.412800      0.6011000    
 H    3.672300      -1.468800       1.273000    
 H  -0.6294000      -2.328000      -1.115600    
 H    4.846400       1.728600      -1.049000    
 H    4.464900      0.1408000     -0.4382000    
 H    4.709000       1.483300      0.7035000    
 H   -2.076300       1.063500      -2.176800    
 H   -1.517100     -0.4614000       1.825600    
 H    3.054400      -3.765900      0.6091000    
 H   -4.510400      0.8849000      -1.896400    
 H   -3.941400     -0.6271000       2.100600    
 H    1.567400      -5.056900     -0.3918000    
 H   -6.128300     -0.8136000      0.9659000    
 H   -6.267800      0.9403000      0.7000000    
 H   -6.360800     -0.1957000     -0.6665000    


%chk=000055864-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000055864

0 1
O 0.924768 -4.551279 -0.522803
N 2.812641 1.564292 -0.379033
C 0.570552 1.335749 0.746486
C 2.076263 0.909821 0.748784
C -0.086059 0.387710 -0.328591
C 0.325610 2.845164 0.559472
C 1.956162 -0.595056 0.524020
C 0.724129 -0.892599 -0.119886
C 1.192169 3.439577 -0.571327
C 2.664363 3.040857 -0.368137
C -1.597273 0.273431 -0.201476
C 2.849739 -1.631288 0.848283
C 0.389606 -2.209257 -0.473039
C 4.225934 1.148791 -0.453884
C -2.453622 0.900438 -1.139912
C -2.197714 -0.426443 0.877950
C 1.303348 -3.243987 -0.155723
C 2.523978 -2.967447 0.508186
C -3.858766 0.838445 -1.004631
C -3.600122 -0.490521 1.011660
C -4.458657 0.145452 0.076630
C -5.968542 0.099722 0.241783
H 0.153882 1.026902 1.727454
H 2.563674 1.159886 1.726956
H 0.159066 0.788222 -1.333533
H 0.573827 3.367432 1.506387
H -0.750358 3.026340 0.372232
H 0.859514 3.065962 -1.558465
H 1.099229 4.542587 -0.584753
H 3.287729 3.450725 -1.185004
H 3.041749 3.488475 0.591476
H 3.789222 -1.420381 1.371971
H -0.556920 -2.458917 -0.961530
H 4.710624 1.653378 -1.308830
H 4.292587 0.060791 -0.618584
H 4.809430 1.398418 0.470562
H -2.014611 1.436083 -1.991526
H -1.559514 -0.937888 1.608933
H 3.210085 -3.785521 0.764718
H -4.497190 1.329663 -1.749647
H -4.038787 -1.044880 1.850982
H 1.621850 -5.202620 -0.261125
H -6.293704 -0.834721 0.732712
H -6.327567 0.940724 0.866969
H -6.485224 0.171271 -0.731668


