%chk=000148592.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000148592

0 1
 O   0.2725000     -3.5000001E-03   2.095400    
 O    1.000400     -2.6000000E-03  -1.368500    
 N  -5.7100002E-02 -1.9000000E-03  0.7130000    
 N    3.481000     -6.6000000E-03 -0.4197000    
 C   -1.374700       0.000000      0.2427000    
 C   -2.030200       1.209000      9.3999999E-03
 C   -2.033100      -1.207100      7.1999999E-03
 C    2.411600     -4.4000000E-03  0.5712000    
 C    1.060800     -2.3000001E-03 -0.1387000    
 C   -3.343900       1.210800     -0.4595000    
 C   -3.346600      -1.205200     -0.4620000    
 C   -4.002200      3.8000001E-03 -0.6953000    
 C   -1.352200       2.518500      0.2520000    
 C   -1.357900      -2.518400      0.2479000    
 C    4.786500      1.6000000E-03  0.2251000    
 C    5.885200      8.2000000E-03 -0.8205000    
 H    2.475100     -0.8976000       1.203000    
 H    2.474500      0.8953000       1.193700    
 H   -3.869700       2.143300     -0.6473000    
 H   -3.874800      -2.136000     -0.6508000    
 H    3.398500     -0.8345000      -1.009600    
 H   -1.007700       2.588400       1.289100    
 H  -0.4983000       2.638600     -0.4227000    
 H   -2.026500       3.364400      7.9599999E-02
 H  -0.4510000      -2.604700     -0.3594000    
 H   -1.099500      -2.629200       1.305800    
 H   -2.003700      -3.362700     -1.7999999E-02
 H   -5.025000      5.2999998E-03  -1.060500    
 H    4.894300      0.8926000      0.8545000    
 H    4.906600     -0.8806000      0.8647000    
 H    5.837300     -0.8842000      -1.453900    
 H    5.814000      0.8905000      -1.465700    
 H    6.867300      2.4100000E-02 -0.3367000    
 H   0.2404000     -0.9579000       2.278700    


%chk=000148592-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000148592

0 1
O 0.127342 0.636447 2.049635
O 1.038726 -0.541747 -1.239814
N -0.048242 0.044120 0.714322
N 3.530003 0.098979 -0.290765
C -1.403387 0.009055 0.219559
C -2.117715 1.233923 0.066480
C -1.982155 -1.253587 -0.095841
C 2.444228 0.072849 0.686951
C 1.110882 -0.151233 -0.035668
C -3.456595 1.165336 -0.385543
C -3.320366 -1.272173 -0.559087
C -4.056087 -0.075792 -0.694883
C -1.460779 2.568932 0.354117
C -1.184150 -2.536565 0.015685
C 4.869440 -0.204916 0.232954
C 5.920879 -0.143376 -0.888282
H 2.547718 -0.752857 1.442849
H 2.399033 1.010241 1.272729
H -4.024163 2.094571 -0.510487
H -3.782513 -2.232865 -0.813133
H 3.279892 -0.404590 -1.152562
H -1.226501 2.679297 1.427393
H -0.501074 2.662336 -0.187375
H -2.113746 3.402390 0.046011
H -0.416425 -2.573808 -0.779600
H -0.648727 -2.610157 0.980620
H -1.836979 -3.419686 -0.085081
H -5.092667 -0.108535 -1.048458
H 5.121966 0.541711 1.013295
H 4.916421 -1.208239 0.733641
H 5.700099 -0.884304 -1.680462
H 5.927973 0.858825 -1.351082
H 6.930010 -0.360165 -0.493995
H -0.140441 -0.089415 2.680076


