%chk=000048430.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000048430

0 1
 O  -1.4300000E-02   1.893900       1.019500    
 O   -3.173300      -1.342200      2.3399999E-02
 O    1.219100      -2.550300      0.4621000    
 N   0.7059000     -0.2755000      0.5779000    
 N  -0.9560000      -1.909600      0.1799000    
 C   -1.537300      0.4361000     -0.1564000    
 C    3.011900      0.3795000     -0.2082000    
 C    2.072600      4.5600001E-02  0.9721000    
 C  -0.2293000      0.7717000      0.5579000    
 C   -2.645900       1.393400      0.3091000    
 C   -1.300900      0.6368000      -1.664300    
 C   -1.991900      -1.000000      4.5899998E-02
 C    4.432300      0.6858000      0.2958000    
 C    3.066400     -0.7814000      -1.215600    
 C    2.462200       1.626300     -0.9257000    
 C   0.3932000      -1.636200      0.3935000    
 C   -2.938100       1.207400       1.780900    
 C   -2.576600      0.4186000      -2.447900    
 H    2.056800      0.8876000       1.675800    
 H    2.488800     -0.8010000       1.533200    
 H   -3.593300       1.222700     -0.2120000    
 H   -2.366300       2.438000      0.1239000    
 H  -0.5361000     -5.7000000E-02  -2.035900    
 H  -0.9239000       1.647900      -1.863800    
 H    4.428500       1.526700      0.9983000    
 H    4.858700     -0.1802000      0.8140000    
 H    5.103000      0.9440000     -0.5313000    
 H    3.768600     -0.5552000      -2.027000    
 H    3.412500      -1.704100     -0.7380000    
 H    2.096300     -0.9721000      -1.685200    
 H    3.160100       1.960000      -1.703300    
 H    2.330700       2.464200     -0.2325000    
 H    1.511400       1.434100      -1.428500    
 H   -1.217100      -2.891800      0.1783000    
 H   -3.318500      0.2101000       2.018300    
 H   -2.068000       1.395700       2.415700    
 H   -3.712300       1.919400       2.089500    
 H   -3.018900     -0.5698000      -2.306900    
 H   -3.332500       1.185600      -2.262300    
 H   -2.342900      0.4920000      -3.517300    


%chk=000048430-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000048430

0 1
O 0.019252 1.962302 0.740103
O -3.186734 -1.496392 -0.204436
O 1.215115 -2.548564 0.732692
N 0.703203 -0.256740 0.550140
N -0.955776 -1.942617 0.187560
C -1.637831 0.421902 -0.182558
C 3.077384 0.376097 -0.246284
C 2.098174 0.110163 0.942252
C -0.268870 0.775965 0.433707
C -2.751011 1.313194 0.437211
C -1.456939 0.735412 -1.734861
C -2.016732 -1.055250 -0.055133
C 4.445762 0.721052 0.403489
C 3.231021 -0.881467 -1.139857
C 2.603901 1.572134 -1.111895
C 0.384681 -1.633528 0.496210
C -2.924273 1.134136 1.960289
C -2.733060 0.601491 -2.588381
H 2.017719 1.019273 1.562573
H 2.484710 -0.722094 1.554514
H -3.699077 1.062405 -0.068252
H -2.503834 2.365899 0.210681
H -0.667593 0.069726 -2.138558
H -1.070896 1.771030 -1.795858
H 4.370283 1.617338 1.047917
H 4.821634 -0.117251 1.019910
H 5.199112 0.929954 -0.377785
H 3.982703 -0.694393 -1.929584
H 3.548214 -1.761069 -0.552829
H 2.279386 -1.140061 -1.640874
H 3.356751 1.793209 -1.891543
H 2.452020 2.479341 -0.501073
H 1.650176 1.348537 -1.624265
H -1.181243 -2.942942 0.208773
H -3.193630 0.092998 2.216597
H -2.006294 1.411754 2.508077
H -3.738428 1.783882 2.328215
H -3.196875 -0.394300 -2.487457
H -3.489075 1.356708 -2.313926
H -2.477431 0.757466 -3.652600


