%chk=000156439.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000156439

0 1
 O  -0.6182000      -1.313100     -0.6295000    
 N   -3.222000      0.8646000      7.3700003E-02
 N   0.7431000      -1.132300     -0.3172000    
 N    1.521900      -2.193000     -0.1228000    
 N    2.735600      -1.726700      0.1503000    
 C   -2.841900      -1.549400      0.2286000    
 C   -3.372400     -0.4044000     -0.6282000    
 C   -1.371900      -1.353900      0.5743000    
 C    1.388700      4.5000002E-02 -0.1850000    
 C   -3.992100      0.8595000       1.318900    
 C   -3.642700       1.978300     -0.7784000    
 C    2.681800     -0.3583000      0.1187000    
 C    1.002600       1.379300     -0.2926000    
 C    3.673600      0.6097000      0.3336000    
 C    2.001300       2.335100     -7.5900003E-02
 C    3.312700       1.959600      0.2314000    
 H   -3.435300      -1.708600       1.134400    
 H   -2.940900      -2.470000     -0.3616000    
 H   -4.422800     -0.5987000     -0.8820000    
 H   -2.821200     -0.3772000      -1.576600    
 H   -1.041400      -2.207400       1.179500    
 H   -1.214500     -0.4434000       1.163700    
 H   -3.557500      0.1956000       2.072100    
 H   -5.041200      0.5841000       1.160300    
 H   -3.976400       1.855500       1.778200    
 H   -3.480100       2.935400     -0.2703000    
 H   -4.700600       1.909300      -1.057000    
 H   -3.044500       2.007400      -1.696100    
 H  -1.4600000E-02   1.667300     -0.5315000    
 H    4.693800      0.3276000      0.5726000    
 H    1.751800       3.390900     -0.1482000    
 H    4.065200       2.727000      0.3941000    


%chk=000156439-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000156439

0 1
O -0.637926 -1.547587 -0.592132
N -3.072135 0.854895 0.084281
N 0.707330 -1.251429 -0.309928
N 1.682609 -2.279778 -0.231606
N 2.865647 -1.670900 -0.036174
C -2.910057 -1.675096 0.226601
C -3.349671 -0.438425 -0.591033
C -1.452589 -1.611137 0.679665
C 1.264626 0.009888 -0.157097
C -3.866295 1.049425 1.317235
C -3.234202 1.994545 -0.846691
C 2.656232 -0.270986 0.016017
C 0.732907 1.319905 -0.138429
C 3.580240 0.786977 0.201744
C 1.666634 2.355393 0.048534
C 3.067149 2.096101 0.212512
H -3.538108 -1.800575 1.129593
H -3.065992 -2.577728 -0.393747
H -4.436992 -0.545625 -0.840417
H -2.792857 -0.438378 -1.544922
H -1.142924 -2.511068 1.241235
H -1.254782 -0.692856 1.260700
H -3.647033 0.253481 2.049593
H -4.969956 1.051949 1.129327
H -3.595550 2.014217 1.781518
H -2.946660 2.933901 -0.340738
H -4.282623 2.113379 -1.219339
H -2.575935 1.857018 -1.723012
H -0.342003 1.500314 -0.241140
H 4.646535 0.579660 0.331853
H 1.316009 3.393249 0.074100
H 3.748274 2.942075 0.353396


