%chk=000158003.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000158003

0 1
 O    1.452800     -0.6295000      0.3959000    
 O  -0.1540000       1.061300      0.3400000    
 O    4.464800       2.026000     -0.4660000    
 O    1.663200       2.711400      -1.068000    
 O    4.908000     -0.8103000     -0.8049000    
 O   -1.613600      0.9420000      -1.911500    
 O    3.161300      -2.203900       1.887400    
 O   -2.194900       1.521900       2.076900    
 O   -5.066800      -1.024200     -0.6535000    
 N   -2.814200     -0.9500000      -1.249800    
 N  -0.4114000      -2.035000       1.656800    
 C    3.429200       1.092700     -0.7774000    
 C    2.093500       1.621000     -0.2538000    
 C    3.787500     -0.2449000     -0.1297000    
 C    1.014100      0.5393000     -0.2926000    
 C    2.608300      -1.217600     -0.2041000    
 C   -1.214800      0.1036000      0.3437000    
 C   -1.536200     -0.2459000      -1.119400    
 C    2.900900      -2.517600      0.5384000    
 C   -2.436800      0.6677000       1.017800    
 C   -3.680900      0.3777000      0.6111000    
 C   -3.925500     -0.5953000     -0.4890000    
 C  -0.7651000      -1.093200       1.078700    
 C   -2.940500      -1.901500      -2.343600    
 C   -2.728900       2.804500       1.816500    
 H    3.405000       1.009700      -1.871000    
 H    2.218200       2.009800      0.7646000    
 H    4.090100     -5.5000000E-02  0.9063000    
 H   0.8260000      0.3161000      -1.347900    
 H    2.382400      -1.474800      -1.247500    
 H  -0.7735000     -0.8983000      -1.560500    
 H    3.752300      -3.059000      0.1142000    
 H    2.028000      -3.176800      0.5138000    
 H    5.299900       1.656400     -0.8007000    
 H   0.8057000       3.012700     -0.7216000    
 H    4.652100     -0.9709000      -1.729200    
 H   -4.557400      0.7687000       1.116200    
 H   -2.816600      -1.372900      -3.292800    
 H   -3.919200      -2.388400      -2.334700    
 H   -2.163800      -2.664900      -2.241800    
 H   -1.925300      0.6768000      -2.792600    
 H    4.096500      -1.949200       1.960900    
 H   -3.818700       2.815900       1.921700    
 H   -2.435300       3.177500      0.8280000    
 H   -2.322800       3.494700       2.562900    


%chk=000158003-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000158003

0 1
O 1.830135 -0.367111 1.001891
O -0.091325 0.615333 0.140087
O 4.097158 1.408194 -2.059586
O 1.216186 0.807784 -2.508188
O 5.350948 -0.601016 -0.327581
O -1.458275 1.366848 -2.099635
O 4.811027 -0.531735 2.520644
O -1.884519 1.006801 2.059574
O -5.424844 0.139716 -1.127937
N -3.206378 -0.299849 -1.744151
N -1.253392 -2.662722 0.638761
C 3.333206 0.334704 -1.428057
C 1.895650 0.836000 -1.221190
C 3.985936 -0.062931 -0.090687
C 1.122504 -0.088854 -0.244655
C 3.117626 -1.047541 0.715956
C -1.369712 -0.074769 -0.041822
C -1.809252 0.036272 -1.559148
C 3.770242 -1.450481 2.063133
C -2.403281 0.639051 0.843836
C -3.696012 0.774063 0.413566
C -4.186400 0.199369 -0.861659
C -1.306135 -1.508620 0.343252
C -3.612953 -0.837576 -3.059025
C -2.807307 1.616849 3.035580
H 3.291655 -0.561214 -2.093834
H 1.933266 1.854212 -0.782918
H 4.162366 0.836390 0.519458
H 0.887732 -1.045977 -0.768848
H 2.906565 -1.961786 0.108791
H -1.181840 -0.637241 -2.165129
H 4.169682 -2.482518 1.982316
H 2.990836 -1.431352 2.841504
H 5.055232 1.147175 -2.030939
H 0.330507 1.275544 -2.429281
H 5.284480 -1.444842 -0.846842
H -4.476138 1.223959 1.031498
H -3.269461 -0.176353 -3.874968
H -4.712108 -0.889302 -3.074663
H -3.196081 -1.849984 -3.203727
H -1.883346 2.080979 -1.557557
H 5.544600 -0.547624 1.848489
H -3.626892 0.916442 3.280745
H -3.220027 2.563023 2.639744
H -2.188260 1.810989 3.921402


