%chk=000064224.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000064224

1 1
 O   0.3877000     -0.7780000       1.148000    
 N  -0.5003000      0.3651000     -0.6697000    
 N    4.339500      6.0400002E-02 -0.3102000    
 C   -1.898900      0.1857000     -0.3468000    
 C   -3.700500      0.6223000       1.377300    
 C   -4.273500      0.6728000      -1.076900    
 C   -3.728300      -1.518100      4.5200001E-02
 C   -2.214300      0.8136000       1.029000    
 C   -2.785000      0.8639000      -1.415200    
 C   -2.241900      -1.318900     -0.2977000    
 C   -4.563700       1.297600      0.2982000    
 C   -4.021200     -0.8816000       1.414600    
 C   -4.591100     -0.8314000      -1.027100    
 C   0.5302000     -0.1358000      0.1112000    
 C    1.890500      0.1967000     -0.4823000    
 C    3.060400     -0.3291000      0.3341000    
 C    4.487000       1.587800     -0.3491000    
 C    5.535600     -0.5150000      0.4605000    
 C    4.404900     -0.4621000      -1.751900    
 C    4.425900       2.130200       1.062100    
 C    5.457000      -2.026000      0.4467000    
 H   -3.912900       1.070700       2.354200    
 H   -4.891800       1.156600      -1.841200    
 H   -3.961100      -2.588400      7.6700002E-02
 H   -1.969600       1.884100       1.020200    
 H   -1.612900      0.3712000       1.830500    
 H   -2.572400      0.4443000      -2.407400    
 H   -2.552300       1.935200      -1.478100    
 H   -1.642400      -1.854300      0.4464000    
 H   -2.017800      -1.789000      -1.264600    
 H   -5.626700       1.184400      0.5440000    
 H   -4.355900       2.374300      0.2718000    
 H   -3.423100      -1.373100       2.191800    
 H   -5.074700      -1.033100       1.680100    
 H   -5.654600     -0.9821000     -0.8049000    
 H   -4.403000      -1.286500      -2.007300    
 H  -0.2667000      0.8823000      -1.512700    
 H    1.904000       1.287800     -0.5603000    
 H    1.882500     -0.2198000      -1.495500    
 H    3.036600     -1.6400000E-02   1.382000    
 H    2.979500      -1.421000      0.3340000    
 H    5.463400       1.806000     -0.7986000    
 H    3.725300       2.023700      -1.000300    
 H    6.456600     -0.1551000     -1.0900000E-02
 H    5.492300     -0.1811000       1.499500    
 H    5.446700     -0.4325000      -2.087100    
 H    4.007100      -1.479700      -1.794800    
 H    3.814400      0.1948000      -2.397900    
 H    4.550400       3.219300       1.007100    
 H    3.462300       1.978300       1.553400    
 H    5.229400       1.786800       1.715800    
 H    6.352700      -2.419400      0.9435000    
 H    4.613100      -2.424000       1.015700    
 H    5.458200      -2.464500     -0.5537000    


%chk=000064224-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000064224

1 1
O 0.727658 -0.041132 0.911218
N -0.575466 0.082812 -1.032449
N 4.352196 0.107073 -0.340488
C -1.945928 0.092484 -0.417453
C -3.585723 1.364134 1.041848
C -4.416028 0.134486 -1.014603
C -3.621493 -1.170898 1.007184
C -2.140789 1.356301 0.469138
C -2.970594 0.122046 -1.585067
C -2.177158 -1.189569 0.434330
C -4.607119 1.394127 -0.126492
C -3.808651 0.087596 1.897709
C -4.643308 -1.142470 -0.159951
C 0.607837 0.032810 -0.356077
C 1.887886 0.111779 -1.241863
C 3.032348 -0.668724 -0.561686
C 4.149785 1.307304 0.636892
C 5.398819 -0.862521 0.280890
C 4.880855 0.663215 -1.656900
C 3.722429 0.941127 2.061929
C 5.942105 -1.945935 -0.658384
H -3.714202 2.264276 1.672989
H -5.132620 0.156288 -1.857459
H -3.774594 -2.083445 1.614529
H -1.968157 2.264855 -0.142230
H -1.400310 1.350764 1.289495
H -2.830301 -0.769229 -2.231253
H -2.806349 1.026550 -2.207308
H -1.437615 -1.229403 1.253672
H -2.030284 -2.085111 -0.202308
H -5.639413 1.418445 0.272486
H -4.469738 2.313591 -0.730164
H -3.094796 0.065198 2.744680
H -4.828156 0.096017 2.329659
H -5.676302 -1.147700 0.238086
H -4.532043 -2.049097 -0.787901
H -0.544203 0.122298 -2.055534
H 2.120512 1.188899 -1.346718
H 1.702738 -0.266801 -2.262522
H 2.689587 -0.972379 0.442147
H 3.301650 -1.563732 -1.143622
H 5.113496 1.848065 0.629200
H 3.391260 1.956968 0.169197
H 6.219281 -0.220422 0.646775
H 4.903828 -1.320485 1.151936
H 5.897754 1.055399 -1.499445
H 4.899767 -0.132038 -2.415221
H 4.225775 1.478379 -1.996838
H 3.612603 1.887891 2.621147
H 2.739217 0.441450 2.084218
H 4.472705 0.339738 2.600950
H 6.639833 -2.569555 -0.071769
H 5.161036 -2.623396 -1.042050
H 6.514979 -1.538421 -1.507151


