%chk=000079772.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000079772

0 1
 O   0.4364000      -2.103200      0.8780000    
 N  -0.5561000     -0.8609000     -0.8109000    
 N   -4.678800       2.316600      0.3024000    
 C   -2.853700      -1.060400      6.0699999E-02
 C   -3.234500      0.3878000     -0.2708000    
 C   -1.781500      -1.609000     -0.8767000    
 C   -4.347900      0.9340000      0.6254000    
 C   0.4682000      -1.174400      7.5000003E-02
 C    1.659900     -0.2880000      3.7400000E-02
 C    2.425500     -0.1529000       1.176900    
 C    1.963000      0.3711000      -1.135800    
 C    3.544500      0.6792000       1.141700    
 C    3.082100       1.203000      -1.171000    
 C    3.872800       1.357000     -3.2200001E-02
 H   -2.501000      -1.112300       1.098000    
 H   -3.744300      -1.696000     -9.7000003E-03
 H   -2.351600       1.031400     -0.1708000    
 H   -3.552800      0.4457000      -1.319600    
 H   -1.577500      -2.655900     -0.6269000    
 H   -2.128900      -1.574700      -1.914800    
 H   -5.247500      0.3194000      0.5125000    
 H   -4.040200      0.8756000       1.675400    
 H  -0.4966000     -3.8300000E-02  -1.401000    
 H   -3.856100       2.904600      0.4295000    
 H   -5.379500       2.658900      0.9584000    
 H    2.180900     -0.6695000       2.100100    
 H    1.395200      0.2516000      -2.052500    
 H    4.159800      0.7999000       2.028500    
 H    3.343100       1.724900      -2.087200    
 H    4.745100       2.003500     -6.0100000E-02


%chk=000079772-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000079772

0 1
O 0.393237 -2.067328 0.935579
N -0.545456 -0.819171 -0.786458
N -4.885002 2.291830 0.247263
C -2.893850 -1.023363 0.130009
C -3.357144 0.397480 -0.257465
C -1.798119 -1.595955 -0.801638
C -4.498293 0.919959 0.639289
C 0.485572 -1.118486 0.091360
C 1.721869 -0.256031 -0.002089
C 2.589468 -0.237525 1.119600
C 2.064289 0.500745 -1.153809
C 3.764200 0.542431 1.102540
C 3.243414 1.278216 -1.172759
C 4.092714 1.306696 -0.042449
H -2.513152 -1.034562 1.169445
H -3.759826 -1.716300 0.099271
H -2.498078 1.098386 -0.186139
H -3.706546 0.421027 -1.308815
H -1.541891 -2.620457 -0.481132
H -2.169232 -1.635591 -1.843973
H -5.383449 0.267259 0.509863
H -4.183260 0.823893 1.708112
H -0.486578 0.022501 -1.359658
H -4.130119 2.977483 0.357365
H -5.758788 2.621624 0.669036
H 2.321945 -0.850935 1.986267
H 1.443508 0.460039 -2.057345
H 4.424840 0.553774 1.976410
H 3.504747 1.850616 -2.069671
H 5.006981 1.910446 -0.058110


