%chk=000050274.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000050274

0 1
 O   -2.104700      -1.009600      -1.082400    
 O    1.470300       2.036700     -0.5665000    
 O  -1.8000000E-03   3.305200      0.6394000    
 N  -0.6238000       1.251600     -0.3066000    
 C   0.8385000      -4.072000     -0.4448000    
 C    2.015200      -3.915800      0.5228000    
 C  -0.3118000      -3.101900     -0.1657000    
 C    2.694400      -2.547000      0.4395000    
 C   -1.466000      -3.316700      -1.143700    
 C    3.904000      -2.472000       1.372400    
 C   -2.598900      -2.329300     -0.9012000    
 C    4.606500      -1.127900       1.266700    
 C   -2.688100     -2.2100000E-02 -0.3317000    
 C   -1.963700       1.104100      5.9300002E-02
 C   -4.025600     -0.1552000      4.1700002E-02
 C   -2.577000       2.097000      0.8234000    
 C   -4.638700      0.8378000      0.8055000    
 C   -3.914500       1.963800       1.196400    
 C    2.482600       3.026700     -0.3498000    
 C    3.764900       2.576300      -1.032600    
 C   0.2462000       2.296700     -1.0100000E-02
 C    4.891800       3.573600     -0.8321000    
 H    1.195600      -3.934500      -1.472800    
 H   0.4665000      -5.101600     -0.3746000    
 H    1.668400      -4.092700       1.548300    
 H    2.751000      -4.698100      0.2988000    
 H   4.7300000E-02  -2.071700     -0.2529000    
 H  -0.6670000      -3.237100      0.8629000    
 H    3.011700      -2.357200     -0.5930000    
 H    1.991100      -1.753900      0.7154000    
 H   -1.848100      -4.340200      -1.055900    
 H   -1.091900      -3.189000      -2.166900    
 H    4.616100      -3.267900       1.124800    
 H    3.585100      -2.632500       2.408900    
 H   -2.974600      -2.498600      0.1164000    
 H   -3.405000      -2.513100      -1.620300    
 H    3.930600     -0.3096000       1.535300    
 H    5.466100      -1.094700       1.943300    
 H    4.968800     -0.9535000      0.2484000    
 H   -4.637200     -0.9978000     -0.2668000    
 H   -2.085900       2.997100       1.164900    
 H  -0.2332000      0.4944000     -0.8625000    
 H   -5.682200      0.7384000       1.090000    
 H   -4.393700       2.737100       1.789800    
 H    2.649600       3.141000      0.7277000    
 H    2.148400       3.983200     -0.7683000    
 H    4.062900       1.594900     -0.6447000    
 H    3.580000       2.432700      -2.103800    
 H    5.800200       3.225300      -1.333300    
 H    5.118400       3.700900      0.2313000    
 H    4.628500       4.551700      -1.247100    


%chk=000050274-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000050274

0 1
O -2.018791 -0.933655 -0.512705
O 1.279718 2.030523 -0.476829
O -0.286277 3.649757 0.224350
N -0.868643 1.393534 -0.220250
C 1.021629 -4.055910 -0.591527
C 2.266339 -4.029337 0.329482
C -0.153387 -3.189506 -0.083079
C 2.971382 -2.653648 0.404450
C -1.362657 -3.200990 -1.043862
C 4.267110 -2.682574 1.246710
C -2.524824 -2.317561 -0.580158
C 4.959507 -1.304495 1.327402
C -2.883775 0.083389 -0.064660
C -2.251192 1.357527 0.081639
C -4.251870 -0.078712 0.225837
C -3.014844 2.465547 0.513608
C -5.007639 1.037883 0.660371
C -4.390454 2.298874 0.799714
C 2.343716 3.067502 -0.427497
C 3.661418 2.369130 -0.769330
C -0.011689 2.471753 -0.120437
C 4.844844 3.362131 -0.745405
H 1.314548 -3.711532 -1.605869
H 0.673709 -5.103756 -0.706026
H 1.974088 -4.347190 1.352509
H 2.997876 -4.781402 -0.032036
H 0.180006 -2.144347 0.052091
H -0.470103 -3.550899 0.917925
H 3.212005 -2.310532 -0.624046
H 2.285278 -1.895491 0.832175
H -1.747429 -4.235291 -1.157563
H -1.041831 -2.867354 -2.050373
H 4.967369 -3.426477 0.814265
H 4.028694 -3.038672 2.269917
H -2.886240 -2.618741 0.425335
H -3.371468 -2.361544 -1.295272
H 4.289293 -0.553001 1.786936
H 5.884314 -1.347984 1.931765
H 5.230955 -0.939229 0.318305
H -4.732612 -1.055344 0.117863
H -2.524410 3.435214 0.623616
H -0.461700 0.504156 -0.524737
H -6.072015 0.913872 0.886176
H -4.975230 3.161943 1.134755
H 2.360746 3.515080 0.583955
H 2.097575 3.866002 -1.152765
H 3.834808 1.550293 -0.045670
H 3.574623 1.903211 -1.768907
H 5.791014 2.850324 -0.995005
H 4.964000 3.821902 0.253485
H 4.699815 4.178625 -1.477429


