%chk=000158939.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000158939

0 1
 O   0.8619000      0.3107000      0.7330000    
 O    3.457700       1.149600      0.2607000    
 O    1.205200      -2.395100      0.1322000    
 O   -4.862800       2.743100      -1.137300    
 O    5.206500      0.6691000      -1.165800    
 O   0.7678000      -4.456000       1.072800    
 N   -1.175200       1.343100       1.071300    
 N   -2.688100     -0.3839000      0.2686000    
 N   -2.327300       3.117100      0.3208000    
 N   -4.617400      0.4515000     -0.8920000    
 N   -4.255400      -1.856400     -0.5784000    
 C    1.953200     -0.4121000       1.286400    
 C  -0.1289000      0.5870000       1.713200    
 C    3.150400     -0.2369000      0.3612000    
 C    1.555600      -1.878400       1.411800    
 C   -2.281500      0.8755000      0.4481000    
 C   -2.975700       1.959100     -4.8000002E-03
 C   -1.247000       2.714400      0.9685000    
 C   -4.222700       1.784400     -0.7225000    
 C   -3.887700     -0.5439000     -0.4222000    
 C    4.519700       1.467600     -0.5434000    
 C   0.8262000      -3.710800      0.1046000    
 C    4.711400       2.966000     -0.5423000    
 C   0.4891000      -4.099800      -1.315700    
 C    5.888600       3.392400      -1.401800    
 C   7.6499999E-02  -5.557200      -1.426600    
 H    2.211100      2.7999999E-03   2.269300    
 H   0.2825000       1.200400       2.522800    
 H  -0.5752000     -0.3202000       2.128600    
 H    2.916100     -0.6058000     -0.6446000    
 H    4.017700     -0.7792000      0.7551000    
 H   0.7066000      -2.006100       2.090400    
 H    2.400400      -2.452400       1.812100    
 H  -0.4854000       3.362000       1.381400    
 H   -2.172400      -1.192700      0.5999000    
 H    3.796200       3.432200     -0.9223000    
 H    4.879100       3.293000      0.4893000    
 H  -0.3311000      -3.462500      -1.663200    
 H    1.370400      -3.924100      -1.941500    
 H   -3.685500      -2.612500     -0.2151000    
 H   -5.109200      -2.107800      -1.064600    
 H    6.820600       2.943100      -1.043100    
 H    5.747400       3.084000      -2.443000    
 H    6.002400       4.480600      -1.379600    
 H   0.8795000      -6.220100      -1.087600    
 H  -0.8082000      -5.763000     -0.8148000    
 H  -0.1596000      -5.808600      -2.465200    


%chk=000158939-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000158939

0 1
O 0.773087 -0.219636 0.666871
O 3.388403 1.062576 0.337246
O 1.679769 -2.963501 0.170637
O -5.352940 1.654623 -0.785673
O 5.217923 0.826048 -1.083447
O -0.607061 -3.132785 0.574630
N -0.877842 1.462398 0.596489
N -2.176718 -0.674125 0.591724
N -2.522114 2.843273 -0.203118
N -4.465086 -0.440847 -0.186296
N -3.582330 -2.549275 0.365372
C 2.042482 -0.734819 1.218195
C 0.361222 1.076775 1.239748
C 3.199373 -0.410733 0.269901
C 1.875040 -2.240965 1.456790
C -2.015590 0.683541 0.403851
C -3.026057 1.529126 -0.083337
C -1.251126 2.778105 0.197797
C -4.366335 0.979127 -0.384669
C -3.449142 -1.180265 0.238535
C 4.456223 1.571932 -0.434503
C 0.383404 -3.350512 -0.168454
C 4.497060 3.087374 -0.351622
C 0.361388 -4.041987 -1.516568
C 5.797790 3.678909 -0.925138
C -1.012239 -4.638949 -1.870815
H 2.248503 -0.270212 2.207735
H 1.122359 1.854133 1.047912
H 0.220181 0.946013 2.335511
H 2.961586 -0.706104 -0.765395
H 4.135433 -0.913499 0.577120
H 1.009439 -2.429988 2.114247
H 2.792581 -2.674071 1.888224
H -0.548201 3.607393 0.241201
H -1.389253 -1.302629 0.795133
H 3.617735 3.471638 -0.906579
H 4.342955 3.385027 0.702084
H 0.671336 -3.292321 -2.271380
H 1.156402 -4.810816 -1.520973
H -2.779875 -3.145669 0.569858
H -4.489875 -2.939294 0.125978
H 6.676583 3.346529 -0.346221
H 5.948270 3.359172 -1.969752
H 5.759946 4.781596 -0.897164
H -1.310984 -5.414748 -1.144525
H -1.795886 -3.862166 -1.880994
H -0.974318 -5.102190 -2.871467


