%chk=000119335.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000119335

0 1
 O   -2.538200      -2.659100      -2.520900    
 N    2.868300      0.9416000      5.4800000E-02
 N   -1.635300     -0.4610000      -1.000500    
 N  -0.3314000      -1.465800      0.6969000    
 N    1.908400     -0.7855000       1.238600    
 N   -1.236800      -2.388000       1.116400    
 N   0.6803000      -2.565500       2.330900    
 C    3.136800       1.490400      -1.273100    
 C    3.742300       1.416700       1.125600    
 C    4.585200       1.211000      -1.667700    
 C    5.200500       1.136200      0.7693000    
 C    5.557700       1.710100     -0.6005000    
 C    1.819200      0.1220000      0.2946000    
 C  -0.4559000     -0.5091000     -0.3144000    
 C   -2.897500     -0.1973000     -0.3223000    
 C   0.5873000      0.3015000     -0.5498000    
 C   -3.099300       1.301800     -0.1183000    
 C   -1.666400     -0.4218000      -2.456600    
 C   -4.437600       1.632500      0.5498000    
 C   0.8343000      -1.593500       1.454200    
 C   -4.599900       3.139900      0.7482000    
 C   -1.500200      -1.823800      -3.017900    
 C   -5.943700       3.478000       1.374100    
 C  -0.5782000      -3.011300       2.088600    
 H    2.941300       2.569200      -1.269900    
 H    2.511200       1.044900      -2.053300    
 H    3.590100       2.494900       1.257800    
 H    3.509500      0.9490000       2.088800    
 H    4.725300      0.1312000      -1.804400    
 H    4.809100       1.689900      -2.627400    
 H    5.859000       1.562900       1.533900    
 H    5.372400      5.2499998E-02  0.7619000    
 H    5.526300       2.805700     -0.5590000    
 H    6.581600       1.426200     -0.8677000    
 H   -2.956600     -0.6922000      0.6518000    
 H   -3.731700     -0.6063000     -0.9065000    
 H   0.5358000       1.098900      -1.279400    
 H   -3.041900       1.818000      -1.085000    
 H   -2.282400       1.702500      0.4954000    
 H  -0.8893000      0.2350000      -2.862900    
 H   -2.622400     -1.0600000E-02  -2.805100    
 H   -5.258300       1.250900     -6.9600001E-02
 H   -4.500000       1.124400       1.519700    
 H   -3.796700       3.519500       1.390500    
 H   -4.514900       3.654100     -0.2162000    
 H  -0.5423000      -2.263800      -2.723200    
 H   -1.550700      -1.816000      -4.111100    
 H   -6.037900       4.560100       1.508100    
 H   -6.768600       3.141300      0.7381000    
 H   -6.049800       3.003500       2.354900    
 H   -1.035200      -3.819700       2.639300    
 H   -3.384600      -2.279700      -2.812900    


%chk=000119335-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000119335

0 1
O -2.138176 -1.070427 -3.376846
N 3.483186 0.773198 -0.148692
N -1.411067 0.509097 -0.754595
N -0.329248 0.293276 1.407163
N 2.100063 0.430739 1.707184
N -1.472514 0.164575 2.236597
N 0.486108 0.111247 3.520969
C 3.818301 1.055424 -1.555701
C 4.659433 0.742567 0.753193
C 4.831536 0.020577 -2.104235
C 5.696268 -0.294410 0.265194
C 6.091420 -0.036109 -1.208333
C 2.196996 0.612749 0.353473
C -0.268658 0.468324 0.022198
C -2.768386 0.061328 -0.320324
C 1.037205 0.619101 -0.500704
C -3.688020 1.224345 0.108958
C -1.310326 0.968144 -2.152340
C -5.111838 0.727929 0.446014
C 0.860884 0.273254 2.214833
C -6.053995 1.867163 0.897858
C -1.013314 -0.142827 -3.188665
C -7.474593 1.370169 1.242311
C -0.889283 0.056643 3.465364
H 4.270633 2.070401 -1.617918
H 2.912876 1.068505 -2.180341
H 5.122776 1.753585 0.767960
H 4.293897 0.515625 1.765333
H 4.349097 -0.975804 -2.134269
H 5.103203 0.292780 -3.142711
H 6.587403 -0.248796 0.920026
H 5.264179 -1.308922 0.366290
H 6.631185 0.931590 -1.278317
H 6.785796 -0.817960 -1.569012
H -2.663778 -0.636184 0.522266
H -3.204141 -0.491893 -1.172620
H 1.154724 0.691487 -1.578099
H -3.745155 1.992263 -0.691799
H -3.242015 1.704214 0.999203
H -0.531493 1.751129 -2.224942
H -2.270030 1.455261 -2.413332
H -5.553595 0.216787 -0.436107
H -5.049214 -0.033300 1.250664
H -5.611903 2.371796 1.780295
H -6.111945 2.633598 0.097684
H -0.184550 -0.783494 -2.847690
H -0.725118 0.331059 -4.152997
H -8.127176 2.200885 1.568342
H -7.950798 0.889358 0.366701
H -7.444518 0.623702 2.058320
H -1.509683 -0.067547 4.350611
H -2.884434 -0.589901 -3.817815


