%chk=000178284.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000178284

0 1
 O  -0.5858000       3.534900      0.4392000    
 N   0.1502000       1.619000     -0.6433000    
 N    1.681200       3.082200      0.4715000    
 N   -3.668100     -0.9614000       1.647600    
 C    3.602900      -2.838700      1.3600000E-02
 C  -0.9557000       1.561700      -1.605100    
 C    2.695700      -1.667300     -0.1591000    
 C    1.029100      0.4845000     -0.4760000    
 C   -1.920500      0.4561000      -1.286700    
 C    2.092600      -1.428300      -1.393900    
 C    2.450500     -0.8110000      0.9144000    
 C    1.244200     -0.3329000      -1.555200    
 C    1.602100      0.2843000      0.7530000    
 C    3.076000      -3.842600       1.056300    
 C    5.041900      -2.421200      0.3709000    
 C   0.3494000       2.791900      0.1177000    
 C   -2.340400      0.2662000      2.4499999E-02
 C   -3.235600     -0.7618000      0.3200000    
 C   -2.382400     -0.3672000      -2.306600    
 C   -3.704200      -1.592600     -0.6978000    
 C   -3.277600      -1.395300      -2.011100    
 C    2.020400       3.816300       1.682600    
 C    2.814800       2.666700     -0.3528000    
 C   -4.983100      -1.508100       1.916600    
 C   -2.797700     -0.6353000       2.759700    
 H    3.664400      -3.382900     -0.9387000    
 H  -0.5396000       1.481000      -2.615400    
 H   -1.506800       2.510200      -1.589600    
 H    2.277100      -2.082700      -2.241800    
 H    2.897700     -0.9871000       1.888800    
 H   0.8144000     -0.1673000      -2.535700    
 H    1.379200      0.8827000       1.629900    
 H    3.052800      -3.413200       2.063600    
 H    3.713700      -4.732800       1.088200    
 H    2.059500      -4.166000      0.8059000    
 H    5.440400      -1.722800     -0.3734000    
 H    5.700200      -3.296300      0.3973000    
 H    5.095600      -1.933800       1.350400    
 H   -1.991200      0.9351000      0.8057000    
 H   -2.057300     -0.2236000      -3.333200    
 H   -4.392100      -2.409600     -0.5001000    
 H   -3.640000      -2.043900      -2.803400    
 H    2.492400       4.762200       1.403000    
 H    2.713400       3.217700       2.280600    
 H    1.122500       4.020900       2.271900    
 H    2.522300       2.302400      -1.339200    
 H    3.453000       1.959800      0.1821000    
 H    3.421200       3.561900     -0.5369000    
 H   -4.983200      -2.596400       1.795600    
 H   -5.741800      -1.073000       1.256300    
 H   -5.298200      -1.290700       2.943400    
 H   -3.115100      -1.149600       3.673800    
 H   -2.815700      0.4403000       2.964100    
 H   -1.764700     -0.9462000       2.565800    


%chk=000178284-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000178284

0 1
O -0.741243 3.104222 0.683375
N 0.355074 1.535318 -0.691527
N 1.592997 3.054650 0.693122
N -4.089703 -0.472877 1.780387
C 3.934266 -3.074137 -0.408269
C -0.872339 1.411980 -1.543851
C 3.002794 -1.861449 -0.476724
C 1.249071 0.411475 -0.616884
C -1.831511 0.304271 -1.116438
C 2.517043 -1.381043 -1.717523
C 2.583359 -1.180349 0.696379
C 1.659090 -0.263044 -1.794444
C 1.715949 -0.072706 0.634603
C 3.290046 -4.248116 0.377221
C 5.315940 -2.702978 0.194184
C 0.349538 2.585428 0.265714
C -2.510767 0.418888 0.116591
C -3.422184 -0.590629 0.553771
C -2.051965 -0.819113 -1.950275
C -3.635348 -1.720747 -0.301126
C -2.956560 -1.821093 -1.530529
C 1.637826 3.957037 1.853952
C 2.857812 2.873674 -0.034770
C -5.039013 -1.506630 2.202839
C -3.856402 0.701928 2.629123
H 4.104890 -3.421856 -1.447544
H -0.555343 1.253598 -2.590773
H -1.375122 2.391748 -1.483441
H 2.817929 -1.887513 -2.643366
H 2.922617 -1.530327 1.679166
H 1.314387 0.086061 -2.773533
H 1.384397 0.416559 1.556633
H 3.112824 -3.970087 1.433068
H 3.953623 -5.133055 0.368534
H 2.318407 -4.535951 -0.062414
H 5.800372 -1.895393 -0.383885
H 5.989099 -3.580746 0.196930
H 5.211567 -2.355359 1.239134
H -2.317073 1.310680 0.720401
H -1.522468 -0.910657 -2.905882
H -4.327694 -2.515321 -0.008412
H -3.136362 -2.695853 -2.166946
H 1.912951 4.986040 1.547552
H 2.383596 3.598646 2.590003
H 0.640382 3.990827 2.316273
H 2.663018 2.538341 -1.064075
H 3.518504 2.128977 0.450849
H 3.390203 3.843455 -0.075923
H -4.554228 -2.500898 2.296543
H -5.885930 -1.610784 1.492146
H -5.455834 -1.241130 3.187563
H -4.447636 0.608889 3.554369
H -4.152213 1.644717 2.124859
H -2.788633 0.798832 2.912273


