%chk=000049752.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000049752

0 1
 O   0.4810000     -0.2883000     -0.3543000    
 O   -3.317500       1.711800     -0.2205000    
 N   -1.829800     -7.4400000E-02 -0.5806000    
 N  -0.3747000       1.716000      0.1506000    
 N   0.9932000       1.775200      0.3416000    
 C   -4.850700      -1.169800      0.1260000    
 C   -4.163200     -0.4014000      -1.013100    
 C   -5.456000     -0.2139000       1.156900    
 C   -3.847800      -2.099800      0.8119000    
 C   -3.070700      0.5549000     -0.5438000    
 C  -0.6029000      0.5061000     -0.2487000    
 C    2.789500      7.0000000E-02  4.5699999E-02
 C    1.450700      0.5837000      3.5200000E-02
 C    3.039700      -1.254600     -0.3295000    
 C    3.857400      0.8877000      0.4317000    
 C    4.341600      -1.755400     -0.3187000    
 C    5.159200      0.3868000      0.4424000    
 C    5.401200     -0.9347000      6.7199998E-02
 H   -5.654800      -1.777200     -0.3066000    
 H   -3.757000      -1.103500      -1.751700    
 H   -4.907100      0.2009000      -1.550100    
 H   -4.690500      0.3511000       1.698600    
 H   -6.035200     -0.7743000       1.899000    
 H   -6.134200      0.4988000      0.6760000    
 H   -3.355600      -2.754000      8.4700003E-02
 H   -3.078200      -1.549800       1.362700    
 H   -4.364100      -2.742200       1.534100    
 H   -1.770500      -1.046000     -0.8736000    
 H    2.240800      -1.925300     -0.6363000    
 H    3.693100       1.921000      0.7284000    
 H    4.530600      -2.784300     -0.6107000    
 H    5.984600       1.025600      0.7429000    
 H    6.414800      -1.324600      7.5700000E-02


%chk=000049752-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000049752

0 1
O 0.524440 -0.333651 -0.402291
O -3.306947 1.644135 -0.119658
N -1.810306 -0.104411 -0.578924
N -0.329895 1.667314 0.355639
N 1.107898 1.672803 0.522460
C -4.987546 -1.163969 0.148237
C -4.212997 -0.460769 -1.018763
C -5.756262 -0.148335 1.024511
C -4.060888 -2.058574 1.005473
C -3.108426 0.477818 -0.534897
C -0.618559 0.481631 -0.186240
C 2.953735 0.021461 0.032871
C 1.579758 0.505860 0.079210
C 3.263580 -1.265977 -0.482924
C 3.997342 0.861009 0.513230
C 4.602998 -1.706063 -0.516431
C 5.331509 0.412129 0.475138
C 5.640153 -0.870950 -0.039017
H -5.731276 -1.820486 -0.349551
H -3.807714 -1.233817 -1.701110
H -4.927497 0.156085 -1.592346
H -5.067066 0.561160 1.514959
H -6.329287 -0.675318 1.809621
H -6.466596 0.445811 0.421320
H -3.510521 -2.794202 0.386544
H -3.322916 -1.452350 1.563283
H -4.651715 -2.625360 1.747457
H -1.730863 -1.063865 -0.922879
H 2.459259 -1.909851 -0.852392
H 3.743633 1.850325 0.907017
H 4.838166 -2.698904 -0.914725
H 6.132182 1.061182 0.845374
H 6.679522 -1.215772 -0.067096


