%chk=000155684.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000155684

0 1
 O  -6.1600000E-02 -0.5309000       1.550700    
 O    2.828800     -0.4891000     -0.4164000    
 O   0.4589000      -1.252000      -2.956000    
 O    4.529500      -1.993700     -1.4100000E-02
 N   -1.276400     -0.3479000      -1.695600    
 N   0.5605000      -1.009400     -0.6346000    
 N    6.153100      0.2042000      0.5644000    
 C   -1.596400     -3.3399999E-02 -0.3054000    
 C  -0.2882000     -0.5413000      0.3454000    
 C   -2.769000     -0.8516000      0.2494000    
 C   -1.812000       1.479700     -0.1997000    
 C  -1.6500000E-02 -0.9126000      -1.880200    
 C    1.877200      -1.555000     -0.3711000    
 C   -3.463100      -1.734800     -0.5810000    
 C  -0.9231000       2.264900      0.5379000    
 C   -3.147200     -0.7169000       1.587200    
 C   -2.898200       2.079700     -0.8408000    
 C   -4.529500      -2.478900     -7.6099999E-02
 C   -1.119500       3.642600      0.6339000    
 C   -4.213600      -1.461100       2.091900    
 C   -3.094600       3.457200     -0.7448000    
 C   -4.904800      -2.342100       1.260200    
 C   -2.205200       4.238800     -7.3000002E-03
 C    4.131500     -0.8551000     -0.2197000    
 C    4.994600      0.3793000     -0.3006000    
 C    7.049100       1.358900      0.4691000    
 C    5.735500      7.9999998E-04   1.953400    
 H   -1.905400     -0.1601000      -2.470900    
 H    1.887200      -2.012100      0.6240000    
 H    2.117200      -2.294800      -1.142300    
 H   -3.206100      -1.872500      -1.626500    
 H  -5.7100002E-02   1.856000       1.045400    
 H   -2.626800     -3.2200001E-02   2.251300    
 H   -3.600500       1.487500      -1.421500    
 H   -5.068300      -3.164900     -0.7233000    
 H  -0.4257000       4.252100       1.205600    
 H   -4.506800      -1.353600       3.132100    
 H   -3.939600       3.921600      -1.244600    
 H   -5.735400      -2.921000       1.653100    
 H   -2.357600       5.311500      6.6799998E-02
 H    5.296500      0.4947000      -1.347700    
 H    4.412000       1.260500     -4.1000000E-03
 H    7.391700       1.494400     -0.5629000    
 H    7.945900       1.202100       1.078800    
 H    6.565300       2.286200      0.7969000    
 H    5.184300     -0.9316000       2.105500    
 H    5.120800      0.8300000       2.323500    
 H    6.616100     -7.5499997E-02   2.602800    


%chk=000155684-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000155684

0 1
O 0.283386 -0.662006 1.158822
O 2.799676 -0.668169 -0.982917
O 0.120959 -1.270803 -3.505472
O 3.944921 -1.899830 0.646440
N -1.431761 -0.339345 -1.958473
N 0.485198 -1.183823 -1.138902
N 5.791943 0.356115 0.943865
C -1.529170 -0.073124 -0.502297
C -0.159065 -0.656825 -0.010158
C -2.653969 -0.881772 0.178682
C -1.631487 1.447976 -0.251809
C -0.258513 -0.952548 -2.355674
C 1.804557 -1.767210 -1.129552
C -3.404368 -1.849169 -0.529919
C -0.468990 2.254800 -0.169770
C -2.899047 -0.686803 1.562317
C -2.905638 2.067863 -0.208159
C -4.404541 -2.599495 0.130905
C -0.580170 3.656091 -0.040194
C -3.891631 -1.441423 2.220986
C -3.015902 3.470215 -0.085818
C -4.652386 -2.397597 1.506702
C -1.853245 4.269562 -0.000523
C 3.797567 -0.843778 0.005116
C 4.591631 0.456099 0.108672
C 6.737102 1.460722 0.688218
C 5.501676 0.177021 2.382600
H -2.088022 0.042383 -2.637710
H 1.929420 -2.468189 -0.287267
H 1.974759 -2.248476 -2.105079
H -3.203330 -2.023677 -1.592055
H 0.525500 1.795237 -0.196867
H -2.302999 0.043822 2.118942
H -3.811688 1.453261 -0.255047
H -4.983147 -3.343091 -0.428318
H 0.325234 4.268792 0.030256
H -4.069340 -1.286857 3.290811
H -4.006565 3.936754 -0.052725
H -5.424647 -2.982026 2.019009
H -1.937913 5.357248 0.099635
H 4.879648 0.738948 -0.920501
H 3.867173 1.243413 0.452485
H 7.005874 1.488749 -0.383218
H 7.662339 1.286814 1.265207
H 6.340018 2.468274 0.975125
H 4.887451 -0.725305 2.526449
H 4.968227 1.054145 2.830705
H 6.450777 0.035635 2.928574


