%chk=000147957.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000147957

0 1
 O   -4.961800     -0.6164000     -0.8005000    
 N    5.538700     -0.4254000     -9.5799997E-02
 N   4.8799999E-02  0.4392000      0.5815000    
 N  -0.4378000      0.9415000     -0.4588000    
 N   -5.925900       1.818300      0.2289000    
 C    6.024300      -1.688800     -0.6143000    
 C    6.493100      0.6063000      0.2584000    
 C    4.155600     -0.2077000      7.4699998E-02
 C    3.698800       1.006500      0.5872000    
 C    3.244700      -1.206600     -0.2687000    
 C    6.090700      -2.741800      0.4788000    
 C    6.617400       1.641800     -0.8463000    
 C    2.331000       1.221900      0.7558000    
 C    1.876900     -0.9912000     -0.1000000    
 C    1.420000      0.2231000      0.4122000    
 C   -4.827700      -1.861100     -0.1179000    
 C   -4.087800      0.3728000     -0.4613000    
 C   -6.191000      -2.531900     -4.6200000E-02
 C   -4.544300       1.587100      5.1300000E-02
 C   -1.815900       1.158300     -0.2883000    
 C   -2.720100      0.1579000     -0.6316000    
 C   -3.633300       2.586300      0.3937000    
 C   -2.265700       2.371400      0.2235000    
 C   -6.128400      -3.861500      0.6837000    
 H    5.449600      -2.039300      -1.479000    
 H    7.040000      -1.554800      -1.009700    
 H    6.271300       1.071600       1.225500    
 H    7.483400      0.1544000      0.4037000    
 H    4.352700       1.822000      0.8747000    
 H    3.533200      -2.171100     -0.6712000    
 H    6.743000      -2.413900       1.295600    
 H    5.110600      -2.962700      0.9105000    
 H    6.498300      -3.675100      7.7600002E-02
 H    5.678200       2.167500      -1.039900    
 H    6.930100       1.172200      -1.785400    
 H    7.370500       2.389600     -0.5777000    
 H    1.983800       2.170900       1.156800    
 H    1.174100      -1.775400     -0.3697000    
 H   -4.123700      -2.493400     -0.6709000    
 H   -4.439400      -1.707600      0.8973000    
 H   -6.581700      -2.680700      -1.059900    
 H   -6.902500      -1.865400      0.4562000    
 H   -2.357400     -0.7826000      -1.039100    
 H   -3.976000       3.537000      0.7941000    
 H   -1.562700       3.155300      0.4922000    
 H   -5.779300      -3.728500       1.712700    
 H   -7.120700      -4.322000      0.7189000    
 H   -5.449800      -4.555300      0.1773000    
 H   -6.591200       1.096100     -1.3500000E-02
 H   -6.249400       2.700600      0.6024000    


%chk=000147957-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000147957

0 1
O -5.259963 -0.404847 0.212543
N 5.526262 -0.522465 -0.147218
N -0.121854 0.192552 0.117497
N -0.589739 1.419946 0.247891
N -6.206528 2.061106 0.493368
C 6.103436 -1.858638 -0.394205
C 6.482694 0.587903 0.033518
C 4.142371 -0.322650 -0.076733
C 3.583782 0.996332 0.052961
C 3.222313 -1.421478 -0.133150
C 6.303880 -2.695391 0.892218
C 6.793169 1.358172 -1.272188
C 2.201452 1.199996 0.124051
C 1.837772 -1.205784 -0.070158
C 1.293933 0.100832 0.061424
C -4.796988 -1.794088 0.054594
C -4.274513 0.604903 0.282873
C -6.037865 -2.688707 0.004177
C -4.826956 1.925506 0.434547
C -2.004857 1.513542 0.301754
C -2.895469 0.396531 0.217394
C -3.931276 3.023989 0.516024
C -2.540581 2.819640 0.450053
C -5.657413 -4.176357 -0.164518
H 5.466861 -2.408166 -1.112030
H 7.079858 -1.717133 -0.895290
H 6.102203 1.281897 0.805506
H 7.420097 0.162455 0.439624
H 4.241488 1.870123 0.083419
H 3.589095 -2.448627 -0.211157
H 6.984791 -2.180060 1.593775
H 5.344273 -2.859069 1.412352
H 6.742442 -3.681451 0.649823
H 5.876584 1.800769 -1.698834
H 7.228157 0.683975 -2.032192
H 7.517021 2.172175 -1.080125
H 1.787465 2.208868 0.219593
H 1.140741 -2.050139 -0.112172
H -4.204273 -1.880085 -0.879787
H -4.143388 -2.063142 0.910364
H -6.680806 -2.362120 -0.834890
H -6.620615 -2.546444 0.933696
H -2.449857 -0.595701 0.103018
H -4.335447 4.036650 0.631151
H -1.841324 3.659479 0.512131
H -5.037825 -4.531654 0.680036
H -6.560950 -4.809744 -0.208534
H -5.084873 -4.341192 -1.096525
H -6.782095 1.225119 0.428102
H -6.641381 2.972070 0.599726


