%chk=000128533.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000128533

0 1
 O  -0.5481000       3.010900      0.4258000    
 O    2.195100       2.167300      -2.736100    
 O    1.292900       3.935000       1.441600    
 O    4.417500       2.500400      -2.420800    
 O   -1.238600      -3.363500      -2.222000    
 N   -4.218400     -0.7519000     -3.4699999E-02
 N    1.490500       2.508400     -0.3778000    
 N   -2.203000      -1.365700       1.184900    
 N   -3.746700      -1.832900      -1.945200    
 N  -0.6752000      -2.755300     -5.5000000E-02
 N    3.387400      -2.384800      0.4476000    
 N    4.764500      -3.352000       2.161600    
 N    3.516600      -4.673800      0.7866000    
 C   -4.611900       1.561800      0.8430000    
 C   -3.145500       1.865100       1.165100    
 C   -4.947500      7.0400000E-02  0.9236000    
 C   -2.856200       3.366300       1.065700    
 C    3.583600       1.410400      0.3447000    
 C    2.926900       2.511400     -0.4926000    
 C   -1.396500       3.692100       1.356800    
 C   -3.019500      -1.357400      0.1268000    
 C    3.163300     -1.1700000E-02 -4.5499999E-02
 C   -4.622100      -1.069800      -1.312300    
 C   -2.739500      -2.013000      -1.039400    
 C    3.823300      -1.048600      0.8570000    
 C   0.7936000       3.219900      0.5791000    
 C    3.285700       2.410900      -1.963200    
 C   -1.506800      -2.769500      -1.184900    
 C   -1.042000      -2.093900       1.010200    
 C    3.876400      -3.386600       1.109500    
 H   -4.846800       1.933300     -0.1622000    
 H   -5.257400       2.104100       1.544100    
 H   -2.904300       1.508900       2.173300    
 H   -2.493200       1.341500      0.4602000    
 H   -6.014800     -8.3700001E-02  0.7267000    
 H   -4.740300     -0.3254000       1.924100    
 H   -3.100400       3.704600      5.1100001E-02
 H   -3.497400       3.918000       1.762600    
 H    4.674100       1.494100      0.2537000    
 H    3.340400       1.575300       1.402200    
 H    3.284600       3.489000     -0.1474000    
 H   -1.240200       4.772900       1.262800    
 H   -1.140200       3.381100       2.376500    
 H    2.073700     -0.1175000      2.3399999E-02
 H    3.433700     -0.2140000      -1.088800    
 H   -5.558000     -0.7161000      -1.723000    
 H   0.9513000       1.937300      -1.022300    
 H    4.913100     -0.9596000      0.7705000    
 H    3.535000     -0.8583000       1.898100    
 H   -2.398600     -0.8885000       2.058500    
 H  -0.3940000      -2.076700       1.900900    
 H    2.430700       2.084600      -3.684700    
 H    5.080700      -4.206900       2.606600    
 H    5.132500      -2.482500       2.530500    
 H    3.887100      -5.470800       1.292400    
 H    2.866600      -4.861900      3.1099999E-02


%chk=000128533-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000128533

0 1
O -0.398546 3.325958 -0.077429
O 3.211321 2.239536 -2.576279
O 1.234945 3.900386 1.537539
O 5.270993 2.476869 -1.525819
O -1.779436 -4.606724 -1.645392
N -4.093590 -1.149554 0.537728
N 1.786395 2.845667 -0.483971
N -1.650373 -1.446483 1.060701
N -4.278447 -2.843279 -1.002810
N -0.590793 -3.246706 -0.128894
N 2.426343 -2.046532 1.211396
N 4.359936 -3.378547 0.583554
N 2.188279 -4.066783 0.033287
C -4.330315 1.370420 0.867247
C -2.876626 1.895315 0.903325
C -4.527700 -0.056589 1.432570
C -2.783546 3.371082 0.450458
C 3.548704 1.621031 0.860035
C 3.220112 2.734562 -0.189072
C -1.428925 4.023696 0.735324
C -2.841546 -1.739276 0.416279
C 3.040912 0.227511 0.444436
C -4.925609 -1.866536 -0.357179
C -2.954720 -2.785881 -0.525333
C 3.217299 -0.850383 1.546373
C 0.922100 3.401199 0.423049
C 4.025846 2.490373 -1.460843
C -1.796596 -3.634604 -0.846588
C -0.547572 -2.242821 0.729731
C 2.981115 -3.108444 0.640516
H -4.724477 1.405817 -0.167072
H -4.966225 2.049355 1.471441
H -2.488380 1.815820 1.942697
H -2.220804 1.281519 0.257113
H -5.600137 -0.228080 1.635029
H -4.001903 -0.161028 2.402207
H -3.012650 3.447660 -0.629796
H -3.550912 3.970272 0.983183
H 4.644275 1.619257 1.015773
H 3.076573 1.930917 1.811148
H 3.572456 3.694816 0.236335
H -1.427631 5.089958 0.440864
H -1.146122 3.954566 1.801738
H 1.960790 0.280779 0.209067
H 3.548829 -0.121881 -0.476675
H -5.979429 -1.620046 -0.470355
H 1.434789 2.506401 -1.381021
H 4.310567 -1.021165 1.702730
H 2.836088 -0.444286 2.505602
H -1.540411 -0.663652 1.707407
H 0.443743 -1.998975 1.181220
H 3.775802 2.056323 -3.374413
H 4.732533 -3.994964 -0.133690
H 5.012733 -2.819427 1.123720
H 2.525010 -5.024143 -0.049138
H 1.172635 -3.877576 -0.118052


