%chk=000150452.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000150452

1 1
 O    1.588500     -0.2376000     -0.5076000    
 O   -2.917600      -2.954100      0.4736000    
 O   -3.445600       1.855200      0.4761000    
 O   -4.500400     -0.6057000       1.162000    
 O   -3.600900       4.139800      0.4282000    
 N    6.306900      0.1568000      0.5009000    
 C    5.327400      1.6000000E-03 -0.6013000    
 C    3.926300     -5.7999998E-02 -1.7500000E-02
 C    7.741900      0.1887000     -4.4000000E-02
 C    6.061000       1.462000       1.271100    
 C    6.200900      -1.009100       1.494400    
 C    2.873900     -0.1713000      -1.111000    
 C  -0.7681000     -0.3925000     -0.7884000    
 C   0.5584000     -0.3258000      -1.481200    
 C   -1.318500      -1.639400     -0.4319000    
 C   -1.483800      0.7756000     -0.4823000    
 C   -2.552800      -1.667400      0.2109000    
 C   -2.716800      0.6840000      0.1633000    
 C   -3.294900     -0.5337000      0.5325000    
 C  -0.9206000      -2.996500     -0.5615000    
 C  -0.9686000       2.092500     -0.8234000    
 C   -1.923200      -3.750700      2.4000001E-03
 C   -1.666000       3.190600     -0.5227000    
 C   -2.971300       3.123100      0.1581000    
 C   -5.536200      -1.328300      0.4990000    
 H    5.439700      0.8526000      -1.283700    
 H    5.566800     -0.9178000      -1.148800    
 H    3.673200      0.8289000      0.5711000    
 H    3.787200     -0.9198000      0.6435000    
 H    7.927000     -0.7535000     -0.5681000    
 H    8.435700      0.3052000      0.7938000    
 H    7.824400       1.035000     -0.7322000    
 H    6.916300       1.630300       1.933600    
 H    5.159800       1.374500       1.882100    
 H    5.978900       2.279800      0.5494000    
 H    7.061400     -0.9580000       2.169400    
 H    5.287500     -0.9154000       2.086700    
 H    6.221000      -1.946700      0.9312000    
 H    3.045200      -1.075700      -1.706600    
 H    2.924500      0.7024000      -1.771600    
 H   0.7073000      -1.242500      -2.066400    
 H   0.6209000      0.4899000      -2.208500    
 H  -1.5000000E-02  -3.381900      -1.008100    
 H  -6.0999999E-03   2.217000      -1.301400    
 H   -2.071100      -4.811700      0.1404000    
 H   -1.281000       4.174900     -0.7664000    
 H   -5.516000      -1.155700     -0.5825000    
 H   -6.496500     -0.9760000      0.8864000    
 H   -5.451000      -2.396800      0.7154000    


%chk=000150452-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000150452

1 1
O 1.599710 -0.406340 -0.694047
O -3.463109 -2.930005 -0.089844
O -3.139460 1.919406 0.509740
O -4.632848 -0.225379 0.902885
O -2.989475 4.203508 0.813660
N 6.325295 0.370484 0.665290
C 5.327073 0.020757 -0.475701
C 3.856804 -0.071548 -0.048389
C 7.730480 0.422354 0.062105
C 5.997374 1.733628 1.273424
C 6.293420 -0.696129 1.758941
C 2.947978 -0.400416 -1.251506
C -0.799973 -0.604864 -1.039165
C 0.541416 -0.692309 -1.712989
C -1.590874 -1.754457 -0.824925
C -1.329674 0.645518 -0.591628
C -2.867783 -1.649667 -0.187324
C -2.607737 0.713548 0.051809
C -3.427597 -0.439492 0.272655
C -1.414111 -3.171141 -1.124059
C -0.621618 1.903483 -0.750301
C -2.536728 -3.826426 -0.676412
C -1.141653 3.098002 -0.312441
C -2.436562 3.186356 0.361152
C -5.567135 -1.354279 1.113904
H 5.466817 0.805104 -1.241803
H 5.679635 -0.939097 -0.895035
H 3.489963 0.880356 0.374799
H 3.693301 -0.861884 0.705044
H 7.972477 -0.559038 -0.373427
H 8.455501 0.667944 0.853083
H 7.757957 1.195446 -0.720853
H 6.776368 1.989956 2.007725
H 5.019924 1.689280 1.772783
H 5.975848 2.488567 0.472588
H 7.069238 -0.463107 2.504288
H 5.306704 -0.698400 2.241941
H 6.491779 -1.680362 1.307638
H 3.205525 -1.390594 -1.691621
H 3.046341 0.368862 -2.052557
H 0.708918 -1.703335 -2.132113
H 0.647103 0.045429 -2.537639
H -0.563623 -3.643839 -1.610644
H 0.362098 1.891363 -1.229395
H -2.850481 -4.866754 -0.683083
H -0.613206 4.046188 -0.440552
H -5.856633 -1.807613 0.151102
H -6.437498 -0.892056 1.599528
H -5.117270 -2.118209 1.769769


