%chk=000063578.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000063578

0 1
 O   0.5555000       1.374700      -2.658500    
 N  -0.7158000      0.8865000     -0.7358000    
 N   0.7020000      -2.992900     -0.1937000    
 N  -0.2621000       2.090300       1.277700    
 N    1.423000     -0.9266000     -0.5813000    
 C   -1.380700     -0.2108000      -1.390000    
 C  -0.8300000      -1.487400      -1.388600    
 C  -0.9508000       1.208800      0.6186000    
 C   0.4285000      -1.769200     -0.7346000    
 C   0.2550000       1.583600      -1.485400    
 C    1.015600       2.610000     -0.7416000    
 C   0.7450000       2.797500      0.6140000    
 C   -2.592800      3.6699999E-02  -2.025600    
 C    1.961000      -2.937200      0.3470000    
 C   -2.083900      0.5911000       1.348900    
 C   -1.499000      -2.529500      -2.030700    
 C    2.389700      -1.637400      9.2100002E-02
 C   -3.261700      -1.005300      -2.667700    
 C   -2.714900      -2.288400      -2.670300    
 C    2.012700       3.357700      -1.380100    
 C    1.486000       3.746600       1.328100    
 C    2.737700      -3.883100       1.016600    
 C   -3.344400       1.175500       1.288800    
 C   -1.876100     -0.5691000       2.086900    
 C    3.666600      -1.240600      0.5239000    
 C    2.742900       4.300000     -0.6572000    
 C    2.481100       4.493800      0.6967000    
 C    4.005900      -3.471100       1.439200    
 C    4.464000      -2.173600       1.198400    
 C   -4.409800      0.5926000       1.974700    
 C   -2.941600      -1.152000       2.772800    
 C   -4.208500     -0.5712000       2.716800    
 H   -3.026900       1.033100      -2.032700    
 H   9.0899996E-02  -3.798600     -0.1706000    
 H   -1.096900      -3.538800      -2.067700    
 H   -4.207800     -0.8173000      -3.166900    
 H   -3.234400      -3.098600      -3.173600    
 H    2.236900       3.218600      -2.434000    
 H    1.288300       3.912700       2.384600    
 H    2.379800      -4.889400       1.202500    
 H   -3.510700       2.082100      0.7132000    
 H  -0.8924000      -1.027500       2.140000    
 H    4.030700     -0.2345000      0.3418000    
 H    3.517200       4.881100      -1.149500    
 H    3.049300       5.227600       1.260800    
 H    4.646400      -4.174600       1.965400    
 H    5.454300      -1.882600       1.539300    
 H   -5.396400       1.044700       1.930700    
 H   -2.784600      -2.057900       3.350900    
 H   -5.038200      -1.025200       3.250800    


%chk=000063578-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000063578

0 1
O -0.106531 2.026249 -2.991082
N -0.792115 1.156103 -0.909251
N 0.227740 -2.937129 -0.068750
N 0.084010 2.010720 1.170328
N 1.206854 -0.897182 -0.375227
C -1.463645 0.076608 -1.613956
C -1.030392 -1.275013 -1.478185
C -0.731896 1.205122 0.506712
C 0.124191 -1.657065 -0.649218
C -0.010991 2.054994 -1.731042
C 0.881183 2.948688 -0.976105
C 0.924509 2.870283 0.450522
C -2.531183 0.403915 -2.474871
C 1.442422 -2.997041 0.623506
C -1.632087 0.331322 1.317257
C -1.743338 -2.277893 -2.193105
C 2.044984 -1.707067 0.415701
C -3.218705 -0.602810 -3.182394
C -2.828141 -1.953044 -3.030173
C 1.722262 3.857473 -1.668653
C 1.824350 3.709230 1.165827
C 2.060418 -4.005014 1.391977
C -3.009521 0.159239 1.021309
C -1.090808 -0.285216 2.475840
C 3.306468 -1.415234 0.984782
C 2.605743 4.680692 -0.951157
C 2.656059 4.601785 0.470170
C 3.317599 -3.692338 1.952168
C 3.930951 -2.419075 1.751675
C -3.826122 -0.624523 1.864853
C -1.905186 -1.079075 3.309313
C -3.276668 -1.253391 3.006343
H -2.811199 1.454962 -2.587594
H -0.501091 -3.648097 -0.070354
H -1.409408 -3.320332 -2.135472
H -4.044201 -0.335892 -3.850016
H -3.349560 -2.744115 -3.579312
H 1.664728 3.886273 -2.761579
H 1.837732 3.637175 2.257522
H 1.600066 -4.985799 1.550785
H -3.451539 0.652988 0.150866
H -0.033364 -0.124395 2.706939
H 3.768041 -0.436041 0.826451
H 3.257191 5.382792 -1.482206
H 3.347003 5.246510 1.024828
H 3.836869 -4.445285 2.555296
H 4.908176 -2.222731 2.205786
H -4.891046 -0.737976 1.634006
H -1.473120 -1.555322 4.196316
H -3.912092 -1.864123 3.657725


