%chk=000153591.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000153591

0 1
 O   -4.197100      -3.486000     -0.4738000    
 N   -3.096200       1.794300      0.4972000    
 N    2.802600      1.6200000E-02 -0.9187000    
 N    3.219100       2.291400     -0.4894000    
 N    3.871400      -2.700900       1.045800    
 C   -1.321600      0.5757000     -7.8900002E-02
 C   -1.740300       1.855900      0.2758000    
 C  -0.8640000       2.944900      0.3637000    
 C   -2.475200     -0.2712000     -6.5399997E-02
 C   0.9471000       1.445400     -0.2810000    
 C   0.4960000       2.730200      8.0399998E-02
 C   -3.566600      0.5180000      0.2977000    
 C   4.4399999E-02  0.3673000     -0.3618000    
 C    2.308400       1.293900     -0.5509000    
 C   -2.691100      -1.640200     -0.3296000    
 C   -1.380200       4.296100      0.7497000    
 C    4.179800     -0.3361000     -0.8090000    
 C    1.422800       3.776300      0.1498000    
 C    4.397000      -1.797200      -1.201100    
 C   -4.865300      8.8000000E-03  0.4106000    
 C    3.586500      -2.804900     -0.3802000    
 C   -3.984200      -2.164200     -0.2208000    
 C   -5.053700      -1.350000      0.1440000    
 C    2.751700       3.507500     -0.1401000    
 C    5.275300      -3.017000       1.315500    
 C    2.995200      -3.588000       1.812900    
 C   -3.061700      -4.266200     -0.8425000    
 H   0.3618000     -0.6365000     -0.6274000    
 H   -3.678100       2.573600      0.7698000    
 H   -1.823300      -2.225500     -0.6087000    
 H    4.783000      0.2919000      -1.475700    
 H    4.540800     -0.1630000      0.2114000    
 H  -0.8954000       4.641600       1.669200    
 H   -1.194300       5.019200     -5.1899999E-02
 H   -2.457000       4.305800      0.9388000    
 H    5.467500      -2.029300      -1.173300    
 H    4.103800      -1.921000      -2.252800    
 H    1.149400       4.790600      0.4208000    
 H    2.224600     -0.5121000      -1.563800    
 H   -5.698700      0.6424000      0.6948000    
 H    3.796200      -3.816800     -0.7520000    
 H    2.518600      -2.628000     -0.5592000    
 H   -6.053300      -1.770800      0.2250000    
 H    3.498300       4.293700     -9.6600004E-02
 H    5.951300      -2.254500      0.9174000    
 H    5.566800      -3.995100      0.9157000    
 H    5.460700      -3.029100       2.396500    
 H    1.943600      -3.329700       1.644900    
 H    3.176300      -3.473800       2.887500    
 H    3.138900      -4.641900       1.547900    
 H   -3.413200      -5.290200      -1.006500    
 H   -2.322300      -4.309000     -3.5500001E-02
 H   -2.626800      -3.923800      -1.787800    


%chk=000153591-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000153591

0 1
O -5.042632 -3.173200 -1.180882
N -3.358079 1.913570 0.459218
N 2.527052 -0.373514 -0.953657
N 3.135032 1.731950 -0.144255
N 5.115500 -2.364945 1.150370
C -1.638978 0.515514 -0.181982
C -1.961758 1.840031 0.312820
C -0.986502 2.810578 0.584164
C -2.898710 -0.208563 -0.324065
C 0.725910 1.129947 -0.175565
C 0.384367 2.448009 0.342268
C -3.940553 0.687633 0.080508
C -0.301762 0.174160 -0.417348
C 2.144898 0.847946 -0.421580
C -3.217401 -1.519102 -0.757239
C -1.348514 4.183973 1.117735
C 3.926429 -0.739691 -1.231444
C 1.465294 3.358558 0.615615
C 4.114850 -2.269009 -1.159015
C -5.296591 0.298680 0.061611
C 4.000182 -2.812861 0.284043
C -4.576979 -1.905449 -0.774999
C -5.604578 -1.005074 -0.369403
C 2.777200 2.955071 0.379251
C 6.374973 -3.091242 0.901180
C 4.762726 -2.348695 2.583760
C -4.040825 -4.144239 -1.615884
H -0.067431 -0.836910 -0.769897
H -3.872340 2.723900 0.793153
H -2.424540 -2.205996 -1.067529
H 4.237267 -0.357486 -2.226925
H 4.560618 -0.245211 -0.478388
H -0.902711 4.361178 2.114949
H -0.980300 4.985855 0.450658
H -2.438969 4.321750 1.219166
H 5.104128 -2.521758 -1.585101
H 3.365196 -2.781910 -1.799986
H 1.269758 4.357631 1.012490
H 1.806220 -0.978587 -1.344953
H -6.096247 0.980441 0.369769
H 3.921362 -3.931240 0.258011
H 3.058043 -2.431964 0.722115
H -6.639202 -1.359075 -0.404308
H 3.617030 3.625487 0.595941
H 6.669972 -3.003157 -0.158841
H 6.309134 -4.182537 1.150501
H 7.184096 -2.649871 1.510288
H 3.873285 -1.713690 2.740512
H 5.596403 -1.913962 3.164656
H 4.546531 -3.364805 3.004049
H -4.609465 -5.046486 -1.885663
H -3.328215 -4.383682 -0.801397
H -3.480872 -3.779250 -2.500097


