%chk=000155217.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000155217

0 1
 O   -1.200000      1.5400000E-02  6.4700000E-02
 O    1.919700      -2.842300     -0.1571000    
 O   0.2500000      -2.338500       1.357800    
 O   -2.087700       1.656200       1.413300    
 N    2.613900       1.203200     -0.6008000    
 C    2.586000     -0.1153000      6.4499997E-02
 C    1.948700       2.079200      0.3825000    
 C    1.138200     -0.6359000     -9.8899998E-02
 C    2.954700      0.1972000       1.523200    
 C    2.526300       1.650000       1.733500    
 C   0.4402000       1.780000      0.2857000    
 C   0.1078000      0.3021000      0.5546000    
 C    3.966900       1.644800     -0.9291000    
 C    1.028700      -2.021700      0.4688000    
 C    4.616100      0.7375000      -1.928300    
 C   -2.206200      0.7702000      0.5812000    
 C    5.755100      7.1900003E-02  -1.704800    
 C    1.922400      -4.201900      0.2899000    
 C   -3.511000      0.3741000     -6.3999998E-03
 C   -4.503300       1.324600     -0.1319000    
 C   -3.690000     -0.9331000     -0.4106000    
 C   -5.728100      0.9517000     -0.6857000    
 C   -4.914700      -1.306000     -0.9643000    
 C   -5.933800     -0.3636000      -1.101900    
 H    3.286100     -0.8376000     -0.3659000    
 H    2.114300       3.144100      0.1834000    
 H   0.8913000     -0.7276000      -1.167000    
 H    2.475500     -0.4733000       2.243200    
 H    4.038100      0.1124000       1.671500    
 H    1.806500       1.747700       2.552700    
 H    3.402500       2.256400       1.991900    
 H  -5.5300001E-02   2.445100      0.9988000    
 H   7.1900003E-02   2.070200     -0.7081000    
 H   9.8499998E-02  0.1372000       1.640900    
 H    3.910900       2.639800      -1.388700    
 H    4.602600       1.753400     -4.1900001E-02
 H    4.131200      0.6252000      -2.895100    
 H    6.281800      0.1498000     -0.7602000    
 H    6.177000     -0.5677000      -2.472300    
 H    2.673300      -4.747900     -0.2873000    
 H    2.189700      -4.251000       1.349700    
 H   0.9440000      -4.659700      0.1158000    
 H   -4.353800       2.352400      0.1851000    
 H   -2.918000      -1.689100     -0.3022000    
 H   -6.521400       1.685700     -0.7936000    
 H   -5.076200      -2.330800      -1.285600    
 H   -6.887600     -0.6541000      -1.532600    


%chk=000155217-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000155217

0 1
O -1.102172 0.187163 -0.101281
O 1.171243 -2.899467 -0.228607
O 0.647528 -1.996140 1.851318
O -2.134184 1.406634 1.601735
N 2.870294 1.213298 -0.631346
C 2.692716 -0.019029 0.197939
C 2.137579 2.234540 0.188610
C 1.218937 -0.505870 -0.045414
C 2.936836 0.436299 1.681120
C 2.576774 1.960792 1.672558
C 0.622897 1.987869 -0.024164
C 0.235854 0.572080 0.450053
C 4.294748 1.557698 -0.907748
C 0.963894 -1.833538 0.648844
C 4.912374 0.583233 -1.888602
C -2.220877 0.664070 0.591247
C 6.103952 -0.040936 -1.714558
C 0.991403 -4.252883 0.353372
C -3.498366 0.186420 -0.014729
C -4.715482 0.598582 0.587820
C -3.523182 -0.656104 -1.156670
C -5.947861 0.170907 0.053595
C -4.759256 -1.081151 -1.687961
C -5.972092 -0.669511 -1.085400
H 3.390252 -0.804858 -0.135886
H 2.397416 3.251631 -0.152841
H 1.106602 -0.646201 -1.133184
H 2.323475 -0.140465 2.394542
H 3.994540 0.278401 1.956264
H 1.771476 2.206723 2.386679
H 3.453235 2.578191 1.937880
H 0.022658 2.733340 0.526814
H 0.401310 2.081466 -1.102724
H 0.150466 0.539193 1.551232
H 4.287868 2.569158 -1.362761
H 4.929765 1.617331 0.008806
H 4.319081 0.403527 -2.796909
H 6.707644 0.112217 -0.810676
H 6.513945 -0.717199 -2.472901
H 1.199064 -4.943811 -0.475395
H 1.694681 -4.407330 1.188923
H -0.040449 -4.371470 0.724034
H -4.669497 1.247508 1.468687
H -2.578561 -0.967265 -1.611030
H -6.886123 0.489063 0.520705
H -4.779274 -1.731727 -2.569106
H -6.930330 -1.001975 -1.500487


