%chk=000153926.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000153926

0 1
 O   -3.175600      -3.450900      0.3950000    
 O    2.858200      -3.630200     -0.6692000    
 O   -5.289100      -1.698300     -4.2800002E-02
 O    5.104900      -2.131400     -8.3999997E-03
 N   -2.335200       1.949100     -3.8300000E-02
 N    2.461300       1.717100      0.4712000    
 C   0.2578000       4.623900     -0.1998000    
 C   -1.095300       4.003100      0.2016000    
 C    1.385700       3.876300      0.5383000    
 C   5.9400000E-02   1.744500      0.2077000    
 C   -1.114500       2.496600      0.1085000    
 C    1.292300       2.378100      0.3851000    
 C   0.4606000       4.557800      -1.727900    
 C   0.2772000       6.105500      0.2189000    
 C   1.2000001E-03  0.3367000      0.1158000    
 C   -1.340200     -0.2446000      0.1126000    
 C    1.290500     -0.3484000      3.7000000E-02
 C   -2.452900      0.6228000     -1.2000000E-02
 C    2.469700      0.4004000      0.2713000    
 C   -1.652400      -1.619600      0.2875000    
 C    1.489900      -1.709600     -0.3178000    
 C   -3.746500      0.1132000     -8.1600003E-02
 C    3.716300     -0.2192000      0.2713000    
 C   -2.956300      -2.117400      0.2300000    
 C    2.747900      -2.316800     -0.3291000    
 C   -4.007600      -1.247500      2.3000000E-02
 C    3.865300      -1.571600     -1.1500000E-02
 C   -3.384500      -3.914200       1.728100    
 C    3.039700      -3.929500      -2.052300    
 C   -5.782900      -2.068800      -1.329700    
 C    5.555200      -2.707300       1.217500    
 H   -1.898900       4.418500     -0.4199000    
 H   -1.331900       4.261700       1.242500    
 H    1.344200       4.095600       1.613500    
 H    2.363700       4.222200      0.1799000    
 H    1.419100       5.005200      -2.014900    
 H   0.4516000       3.531200      -2.107900    
 H  -0.3305000       5.106800      -2.251500    
 H    1.230500       6.577800     -4.3800000E-02
 H  -0.5231000       6.666600     -0.2768000    
 H   0.1392000       6.216000       1.300400    
 H  -0.8807000      -2.339100      0.5373000    
 H   0.6636000      -2.323500     -0.6582000    
 H   -4.585700      0.7984000     -0.2010000    
 H    4.608000      0.3726000      0.4777000    
 H   -4.265500      -3.436400       2.168300    
 H   -2.502100      -3.717600       2.345100    
 H   -3.553300      -4.993900       1.692700    
 H    3.960600      -3.472200      -2.427800    
 H    2.181600      -3.581300      -2.635800    
 H    3.119000      -5.014700      -2.160200    
 H   -5.191300      -2.889900      -1.746600    
 H   -5.765500      -1.209900      -2.008100    
 H   -6.817200      -2.404800      -1.216000    
 H    6.559300      -3.109600       1.058400    
 H    4.894600      -3.524400       1.523900    
 H    5.602300      -1.946500       2.003200    


%chk=000153926-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000153926

0 1
O -3.071106 -3.444478 0.567180
O 2.750258 -3.599179 -0.815747
O -5.322606 -1.679228 -0.058824
O 5.149191 -2.109863 -0.037554
N -2.356817 2.109039 -0.028278
N 2.506988 1.877039 0.472160
C 0.262092 4.786434 -0.191164
C -1.089878 4.171460 0.266928
C 1.393312 4.046541 0.577103
C 0.066560 1.870757 0.246006
C -1.149787 2.658829 0.156727
C 1.344675 2.538234 0.416019
C 0.446037 4.621145 -1.722718
C 0.292715 6.290757 0.168742
C 0.008421 0.441899 0.141618
C -1.317420 -0.166671 0.148191
C 1.279490 -0.266995 0.038538
C -2.458437 0.717012 0.002446
C 2.491780 0.496069 0.267068
C -1.590166 -1.553521 0.366099
C 1.434235 -1.633288 -0.354993
C -3.773111 0.174211 -0.097197
C 3.758755 -0.157483 0.264469
C -2.891135 -2.063153 0.329189
C 2.688792 -2.246919 -0.409676
C -3.999654 -1.197227 0.024338
C 3.869525 -1.517074 -0.029068
C -3.901566 -3.766988 1.753563
C 3.529401 -3.841600 -2.054831
C -5.556307 -2.677715 -1.130339
C 5.315908 -3.250002 0.896437
H -1.938684 4.590662 -0.302372
H -1.261197 4.444938 1.330348
H 1.306077 4.288349 1.658103
H 2.391475 4.394268 0.256662
H 1.414350 5.046553 -2.045919
H 0.424461 3.560157 -2.029979
H -0.358471 5.147055 -2.269757
H 1.251632 6.749563 -0.137069
H -0.521332 6.836208 -0.344691
H 0.172400 6.446476 1.257948
H -0.802778 -2.252891 0.652219
H 0.588389 -2.226503 -0.706242
H -4.609909 0.858039 -0.259629
H 4.651032 0.431616 0.490292
H -4.900447 -3.301552 1.676259
H -3.394403 -3.419383 2.673209
H -3.983614 -4.864204 1.761948
H 4.564941 -3.471268 -1.951006
H 3.036595 -3.345896 -2.912267
H 3.519444 -4.932797 -2.196019
H -4.880871 -3.544749 -1.019649
H -5.407176 -2.207193 -2.120177
H -6.606225 -2.986197 -1.015861
H 6.336404 -3.622011 0.720987
H 4.572219 -4.041360 0.694509
H 5.217245 -2.897322 1.940122


