%chk=000157756.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000157756

0 1
 O   -3.881600       2.671000      0.3276000    
 O  -0.4939000      -2.682000     -0.8941000    
 O  -0.1577000      -2.532400       1.349000    
 N   -2.067300     -0.3823000      0.3914000    
 N   -1.745300       1.809700      1.9200001E-02
 N   0.8688000       1.507400     -0.4617000    
 C   -3.381700      0.2901000      0.5600000    
 C   -4.360800     -0.2600000     -0.4687000    
 C   -3.079900       1.751300      0.2946000    
 C   -3.869800      8.4399998E-02   1.988000    
 C   -3.799700     -0.1117000      -1.882700    
 C   -4.688200      -1.723800     -0.1752000    
 C   -1.224700      0.5589000      8.9800000E-02
 C   0.1858000      0.3735000     -0.1660000    
 C   0.7809000     -0.8825000     -0.1075000    
 C    4.329700      9.9399999E-02 -0.9499000    
 C    2.870300      0.1673000     -0.6705000    
 C    5.177800      0.2668000      0.3218000    
 C    2.144100     -0.9783000     -0.3647000    
 C    2.191900       1.375000     -0.7058000    
 C    6.675400      0.2364000      1.7200001E-02
 C   2.1299999E-02  -2.081500      0.2133000    
 C    7.504500      0.4432000       1.274800    
 H   -5.297700      0.3112000     -0.4242000    
 H   -4.894600      0.4497000       2.116400    
 H   -3.828100     -0.9657000       2.295600    
 H   -3.242100      0.6390000       2.696500    
 H   -2.889900     -0.7011000      -2.037400    
 H   -4.534900     -0.4692000      -2.613400    
 H   -3.588100      0.9306000      -2.139800    
 H   -3.789200      -2.346800     -0.1219000    
 H   -5.323400      -2.136100     -0.9677000    
 H   -5.246100      -1.838000      0.7591000    
 H   -1.234400       2.656900     -0.2020000    
 H    4.571100     -0.8569000      -1.431700    
 H    4.600600      0.8734000      -1.679700    
 H    4.932400     -0.5285000       1.037300    
 H    4.924700       1.217000      0.8095000    
 H    2.640400      -1.945100     -0.3250000    
 H    2.703800       2.304300     -0.9365000    
 H    6.942100     -0.7242000     -0.4383000    
 H    6.923400       1.019800     -0.7082000    
 H    7.302300     -0.3412000       2.011100    
 H    7.284600       1.411800       1.735100    
 H    8.571800      0.4161000       1.033900    
 H   -1.008000      -3.486200     -0.6672000    


%chk=000157756-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000157756

0 1
O -4.014065 2.726027 0.055971
O -0.712737 -2.443025 -1.318036
O 0.299143 -2.966539 0.711422
N -2.038559 -0.340466 0.389771
N -1.822835 1.852779 -0.274267
N 0.881241 1.569228 -0.659614
C -3.378825 0.319337 0.577142
C -4.473658 -0.388956 -0.297223
C -3.176534 1.792473 0.097584
C -3.735250 0.333665 2.084066
C -4.101879 -0.367907 -1.799902
C -4.742432 -1.834691 0.179277
C -1.232671 0.584273 -0.093350
C 0.197692 0.407972 -0.409704
C 0.840265 -0.861371 -0.408005
C 4.477931 0.295073 -0.963250
C 2.970658 0.296264 -0.810103
C 5.220171 0.259985 0.403922
C 2.241259 -0.896092 -0.578362
C 2.222114 1.500887 -0.869112
C 6.756258 0.241965 0.238484
C 0.111862 -2.161899 -0.226390
C 7.500209 0.219908 1.590849
H -5.391920 0.218057 -0.156911
H -4.724319 0.803026 2.227764
H -3.749916 -0.693031 2.482506
H -2.989085 0.910720 2.657976
H -3.167535 -0.929751 -1.983052
H -4.907305 -0.834928 -2.395276
H -3.969486 0.663141 -2.175752
H -3.801876 -2.414557 0.196467
H -5.448516 -2.333582 -0.509739
H -5.185259 -1.869181 1.190026
H -1.298868 2.666764 -0.601226
H 4.795724 -0.581655 -1.561431
H 4.798994 1.197003 -1.520073
H 4.896675 -0.633112 0.975710
H 4.919964 1.141175 1.005703
H 2.760224 -1.860657 -0.547413
H 2.722180 2.452040 -1.087928
H 7.048466 -0.644050 -0.361457
H 7.071600 1.131184 -0.344772
H 7.226550 -0.674739 2.181043
H 7.249913 1.110786 2.196936
H 8.595912 0.206837 1.446766
H -1.220878 -3.279678 -1.135639


