%chk=000160315.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000160315

0 1
 O   -4.113000     -0.6339000     -0.2277000    
 O    1.300600       1.394800     -0.7856000    
 O  -0.5865000     -0.8204000      0.2479000    
 O   -2.357400     -0.9835000       1.710100    
 O    2.809700      0.5935000       1.900300    
 O    1.568400       3.465100      0.1985000    
 O   -3.518300      -2.859100     -4.9699999E-02
 N    4.690900      -1.284600     -0.2183000    
 C   -2.767600     -0.3013000     -0.6009000    
 C   -2.727700       1.249700     -0.7898000    
 C    2.627200      0.9403000     -0.4751000    
 C    3.124300      0.1085000      -1.655800    
 C    4.520100     -0.4864000      -1.445800    
 C   -1.310800       1.743800     -0.9658000    
 C   -2.428800      -1.117800      -1.852800    
 C   -3.590300       1.736200      -1.959500    
 C   -1.908900     -0.7475000      0.5942000    
 C    1.737200      -1.163600      0.7544000    
 C    2.447400      0.1457000      0.8128000    
 C    3.804100      -2.455200     -0.1609000    
 C  -0.6168000       2.520000     -0.1122000    
 C   0.3308000      -1.199700       1.290200    
 C    2.387400      -2.261600      0.3317000    
 C   0.8706000       2.571500     -0.2566000    
 C   -1.162900       3.250400       1.076700    
 C    6.092800      -1.701000     -0.1037000    
 C   -4.339100      -1.954100      1.7800000E-02
 C   -1.107000       2.400900       2.331800    
 C   -5.776300      -2.150800      0.3941000    
 H   -3.166200       1.691000      0.1141000    
 H    3.308600       1.780000     -0.2956000    
 H    3.151600      0.7544000      -2.543900    
 H    2.403700     -0.6760000      -1.917500    
 H    4.782100      -1.082400      -2.330100    
 H    5.226000      0.3543000      -1.416400    
 H  -0.7961000       1.314400      -1.823400    
 H   -1.623900     -0.6515000      -2.430000    
 H   -2.060700      -2.125800      -1.637200    
 H   -3.294200      -1.215600      -2.518400    
 H   -3.597400       2.831300      -2.005600    
 H   -3.219700       1.367800      -2.922200    
 H   -4.627800       1.404900      -1.847300    
 H    4.232800      -3.190300      0.5348000    
 H    3.772000      -2.956600      -1.137300    
 H   7.1900003E-02  -2.207900       1.635300    
 H   0.2288000     -0.5123000       2.137800    
 H    1.821800      -3.194400      0.3453000    
 H  -0.6102000       4.183300       1.239600    
 H   -2.197900       3.562200      0.8936000    
 H    6.757600     -0.8299000     -0.1052000    
 H    6.392200      -2.367600     -0.9206000    
 H    6.266000      -2.217400      0.8472000    
 H   -1.431300       2.990700       3.195600    
 H  -9.1899998E-02   2.044100       2.534800    
 H   -1.770400       1.536300       2.262100    
 H   -6.421800      -1.831400     -0.4278000    
 H   -6.001700      -1.587500       1.303100    
 H   -5.958300      -3.211900      0.5876000    


%chk=000160315-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000160315

0 1
O -4.170127 -0.719890 -0.144883
O 1.434652 1.263521 -0.739150
O -0.578135 -1.316362 0.022166
O -2.015626 -0.630910 1.732141
O 3.102776 -0.044545 1.812786
O 1.608829 3.309200 0.394174
O -3.682923 -2.925592 0.458776
N 4.443638 -1.314205 -0.429037
C -2.767375 -0.503230 -0.633124
C -2.696930 1.064122 -0.825583
C 2.838574 0.891936 -0.435586
C 3.523222 0.511531 -1.753473
C 4.814686 -0.245472 -1.389517
C -1.235386 1.450139 -0.894689
C -2.532065 -1.315839 -1.915184
C -3.506002 1.549412 -2.053725
C -1.787317 -0.851981 0.523265
C 1.862375 -1.481228 0.315839
C 2.772765 -0.281782 0.599485
C 3.723075 -2.482483 -0.995370
C -0.600390 2.392303 -0.134802
C 0.525970 -1.531441 1.029799
C 2.323245 -2.530145 -0.412604
C 0.896264 2.423122 -0.133768
C -1.267295 3.369525 0.818693
C 5.411893 -1.615632 0.641000
C -4.487044 -1.968711 0.412776
C -1.153763 2.930031 2.304246
C -5.896638 -1.954832 0.955787
H -3.155553 1.484972 0.088101
H 3.337081 1.742641 0.067257
H 3.737347 1.408447 -2.361269
H 2.843256 -0.134709 -2.340220
H 5.324556 -0.647573 -2.290623
H 5.521010 0.434930 -0.879575
H -0.610642 0.839006 -1.556468
H -1.571306 -1.039855 -2.379198
H -2.504445 -2.391946 -1.686871
H -3.345854 -1.119594 -2.632947
H -3.548710 2.652962 -2.053602
H -3.039079 1.234484 -3.003544
H -4.539076 1.160782 -2.018063
H 4.268035 -3.423325 -0.773775
H 3.685189 -2.401058 -2.101349
H 0.334905 -2.520572 1.482019
H 0.448495 -0.762180 1.816168
H 1.715100 -3.430855 -0.573535
H -0.778704 4.355421 0.703622
H -2.330627 3.496113 0.546062
H 5.581167 -0.705084 1.241635
H 6.380265 -1.991878 0.248237
H 4.977867 -2.368900 1.319614
H -1.650204 3.666942 2.961517
H -0.094765 2.864226 2.609923
H -1.623786 1.943755 2.466639
H -6.563333 -1.358267 0.313264
H -5.887840 -1.488039 1.957772
H -6.269598 -2.985310 1.051468


