%chk=000058700.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000058700

0 1
 O   -2.565400      -1.245700      1.3000000E-02
 N  -0.9119000      0.2639000     -0.3972000    
 N   -3.135500      0.9627000      0.1051000    
 C  -0.3874000       1.586900     -0.7201000    
 C   0.8132000       1.881800      0.1728000    
 C   2.6000000E-03 -0.8627000     -0.5918000    
 C    1.826900      0.7691000      0.1186000    
 C    1.431900     -0.5369000     -0.2230000    
 C   -2.216900      6.8899997E-02 -9.3800001E-02
 C    2.391200      -1.560400     -0.2447000    
 C    3.161600       1.023300      0.4625000    
 C   -3.878400      -1.232300      0.5498000    
 C   -4.355900      0.1801000      0.3212000    
 C    3.719800      -1.294500      8.5900001E-02
 C    4.104100     -4.1999999E-03  0.4416000    
 H   -1.137000       2.374400     -0.5831000    
 H  -9.5500000E-02   1.608500      -1.777900    
 H   0.4861000       1.998100       1.213500    
 H    1.269700       2.826300     -0.1456000    
 H  -3.3500001E-02  -1.169800      -1.643900    
 H  -0.2929000      -1.718400      2.7000001E-02
 H    2.105000      -2.573100     -0.5181000    
 H    3.473900       2.025000      0.7469000    
 H   -3.826600      -1.483300       1.614500    
 H   -4.506100      -1.969400      4.1000001E-02
 H   -4.990200      0.2448000     -0.5698000    
 H   -4.928500      0.5547000       1.175000    
 H    4.453900      -2.094600      6.8400003E-02
 H    5.137700      0.2019000      0.7044000    


%chk=000058700-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000058700

0 1
O -2.584782 -1.323934 0.121209
N -0.887443 0.209597 -0.456678
N -3.126127 0.961629 0.018400
C -0.382838 1.560343 -0.764236
C 0.796483 1.886160 0.172815
C 0.044705 -0.917414 -0.609380
C 1.842012 0.776957 0.145165
C 1.476586 -0.546277 -0.224084
C -2.203705 0.034972 -0.113310
C 2.465461 -1.560998 -0.255703
C 3.193094 1.047973 0.481565
C -4.019690 -1.251892 0.541716
C -4.394292 0.265485 0.384900
C 3.804676 -1.282930 0.086768
C 4.171356 0.032218 0.459434
H -1.217339 2.266465 -0.633043
H -0.048996 1.598225 -1.821978
H 0.405053 2.012950 1.201559
H 1.256085 2.849603 -0.119299
H 0.038470 -1.285858 -1.660155
H -0.314627 -1.751023 0.017679
H 2.179894 -2.579910 -0.548042
H 3.475824 2.070952 0.760450
H -4.077378 -1.609505 1.583959
H -4.589976 -1.922964 -0.120890
H -5.151020 0.420491 -0.407459
H -4.800516 0.682353 1.324412
H 4.555344 -2.080578 0.062725
H 5.209586 0.262016 0.723704


