%chk=000127622.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000127622

0 1
 O    2.581200     -0.5847000      0.2470000    
 O    1.148500       1.238300      0.5054000    
 O    5.895500       1.841400      0.2901000    
 O    3.236900       2.968800     -0.2875000    
 O    6.079700     -0.8525000     -0.7857000    
 O    4.810500      -3.208600     -0.4396000    
 O    3.025700      -2.995300      0.9621000    
 O   -5.880500       2.537200      -1.010800    
 N   -5.000200      0.9218000      2.0800000E-02
 N   -5.985100       1.801000     -2.2399999E-02
 C    4.809700       1.139100     -0.3165000    
 C    3.486500       1.666000      0.2398000    
 C    4.985500     -0.3506000     -2.0300001E-02
 C    2.320400      0.7584000     -0.1525000    
 C    3.729500      -1.127500     -0.3946000    
 C  -2.9800000E-02  0.7686000     -0.1310000    
 C   -1.257100       1.319600      0.5832000    
 C    3.788300      -2.525300      0.1310000    
 C   -2.552200      0.8226000     -5.7000000E-02
 C   -3.775500       1.414700      0.6406000    
 C   -5.421300     -0.3272000      0.6713000    
 C   -6.133200      -1.233800     -0.3313000    
 C   -6.561300      -2.549300      0.3202000    
 C   -7.302000      -3.442600     -0.6622000    
 H    4.884800       1.334500      -1.392700    
 H    3.542100       1.770700       1.329800    
 H    5.236600     -0.4974000       1.037400    
 H    2.169000      0.7999000      -1.240500    
 H    3.559300      -1.177100      -1.477200    
 H  -4.7200002E-02 -0.3274000     -0.1086000    
 H  -3.9900001E-02   1.097700      -1.177100    
 H   -1.221600       1.031200       1.641100    
 H   -1.219800       2.416000      0.5691000    
 H    5.844200       1.705100       1.251600    
 H    3.181100       2.896800      -1.255700    
 H   -2.575100     -0.2728000     -1.1900000E-02
 H   -2.563900       1.099400      -1.119000    
 H    5.867700     -0.7358000      -1.727500    
 H   -3.698900       2.507700      0.5394000    
 H   -3.751700       1.219200       1.721700    
 H   -4.551100     -0.8873000       1.039900    
 H   -6.051600     -0.1389000       1.552200    
 H   -7.020400     -0.7308000     -0.7359000    
 H   -5.468700      -1.446200      -1.178800    
 H    4.867100      -4.129300     -0.1060000    
 H   -5.681100      -3.082000      0.6985000    
 H   -7.211600      -2.345500       1.179000    
 H   -7.596900      -4.377800     -0.1759000    
 H   -6.669400      -3.690700      -1.520400    
 H   -8.207800      -2.952200      -1.032800    


%chk=000127622-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000127622

0 1
O 2.403437 -0.650724 -0.149762
O 0.982717 1.137233 0.376912
O 5.814473 1.635791 0.822199
O 3.231175 2.969597 0.314986
O 6.058229 -0.875127 -0.774382
O 3.297157 -3.183383 -1.923778
O 3.910569 -3.281350 0.317353
O -4.945268 2.784565 -1.736287
N -5.272257 1.137268 -0.242469
N -5.746246 1.858735 -1.324561
C 4.717770 1.036856 0.023549
C 3.348542 1.529941 0.534034
C 4.856465 -0.492436 -0.034063
C 2.215634 0.836575 -0.240910
C 3.656245 -1.088762 -0.794717
C -0.210653 0.757753 -0.419896
C -1.434662 1.261803 0.346096
C 3.651518 -2.612663 -0.702258
C -2.751786 0.892315 -0.372900
C -3.974244 1.454876 0.393298
C -6.176253 0.089126 0.265141
C -5.624954 -1.346731 0.111945
C -6.628726 -2.398460 0.638067
C -6.099654 -3.842358 0.502554
H 4.895140 1.451653 -0.985817
H 3.226196 1.272252 1.609952
H 4.866013 -0.918778 0.993566
H 2.238341 1.125021 -1.319587
H 3.694367 -0.780636 -1.858840
H -0.228967 -0.342227 -0.541772
H -0.142689 1.232333 -1.422201
H -1.416796 0.827282 1.364437
H -1.356181 2.359750 0.459560
H 5.730822 1.323710 1.762355
H 4.081082 3.387049 0.615452
H -2.840217 -0.207980 -0.460615
H -2.758409 1.309376 -1.396839
H 6.825823 -0.373195 -0.396348
H -3.890395 2.558397 0.432354
H -4.002289 1.061767 1.425858
H -6.397955 0.288676 1.333525
H -7.116930 0.199141 -0.303679
H -5.403595 -1.539595 -0.956042
H -4.669772 -1.449327 0.665267
H 3.290601 -4.175970 -1.839177
H -6.859184 -2.187441 1.702498
H -7.585030 -2.300305 0.085733
H -6.833429 -4.576161 0.882407
H -5.161030 -3.977503 1.072198
H -5.889846 -4.090632 -0.554595


