%chk=000020549.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000020549

0 1
 O   -2.665600       1.100500     -0.1767000    
 O    2.665700       1.100500      0.1749000    
 O   -5.459400      -1.774100      0.7653000    
 O    5.459400      -1.774400     -0.7652000    
 N   -2.801800      -1.505700     -0.1867000    
 N    2.801800      -1.505700      0.1869000    
 C  -0.6967000     -0.2124000     -4.6300001E-02
 C   0.6967000     -0.2123000      4.6200000E-02
 C   -1.393400      -1.425800     -9.2699997E-02
 C    1.393300      -1.425800      9.2799999E-02
 C  -0.6967000       2.333700     -4.6200000E-02
 C   0.6967000       2.333700      4.6000000E-02
 C   -1.444300       1.060700     -9.5500000E-02
 C    1.444400       1.060700      9.5399998E-02
 C  -0.6952000      -2.632900     -4.6300001E-02
 C   0.6951000      -2.632900      4.6399999E-02
 C   -1.393400       3.547200     -9.2000000E-02
 C    1.393500       3.547300      9.2299998E-02
 C   -3.504500      -2.748400     -0.2337000    
 C    3.504400      -2.748500      0.2340000    
 C  -0.6952000       4.754200     -4.5600001E-02
 C   0.6952000       4.754300      4.6500001E-02
 C   -4.996600      -2.497000     -0.3685000    
 C    4.996600      -2.497000      0.3688000    
 H   -1.180700      -3.603200     -7.7299997E-02
 H    1.180700      -3.603200      7.7399999E-02
 H   -3.327700     -0.6409000     -0.2043000    
 H    3.327600     -0.6409000      0.2060000    
 H   -2.477300       3.576900     -0.1637000    
 H    2.477400       3.576900      0.1639000    
 H   -3.328000      -3.316600      0.6876000    
 H   -3.184800      -3.349100      -1.093200    
 H    3.331200      -3.313400     -0.6899000    
 H    3.183700      -3.351300       1.091500    
 H   -1.236400       5.695300     -8.1299998E-02
 H    1.236300       5.695400      8.2500003E-02
 H   -5.549400      -3.439500     -0.4302000    
 H   -5.221600      -1.905500      -1.261900    
 H    5.539400      -3.446000      0.4209000    
 H    5.219200      -1.911200       1.267000    
 H   -5.276400      -2.314500       1.552700    
 H    6.414400      -1.636800     -0.6451000    


%chk=000020549-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000020549

0 1
O -2.756774 1.032350 -0.038336
O 2.784304 1.024801 0.025259
O -5.673703 -1.478592 0.554287
O 5.613423 -1.536368 -0.593053
N -2.816473 -1.541952 -0.102894
N 2.831722 -1.550081 0.072636
C -0.712631 -0.270625 -0.029204
C 0.735462 -0.272957 0.001965
C -1.440550 -1.517971 -0.056207
C 1.458694 -1.524555 0.021037
C -0.697058 2.267816 -0.011580
C 0.726920 2.265279 0.005886
C -1.457097 0.994213 -0.028884
C 1.483635 0.989041 0.013266
C -0.686559 -2.744903 -0.042421
C 0.699809 -2.748323 -0.007408
C -1.398752 3.501733 -0.016054
C 1.431358 3.497600 0.016889
C -3.621844 -2.761108 -0.107965
C 3.651806 -2.760775 0.067967
C -0.692700 4.718270 -0.004016
C 0.728513 4.716095 0.012105
C -5.097674 -2.436346 -0.396072
C 5.091119 -2.419672 0.459152
H -1.216263 -3.701901 -0.059231
H 1.226430 -3.707158 -0.011796
H -3.266222 -0.598417 -0.051155
H 3.281874 -0.610351 -0.008414
H -2.492414 3.468941 -0.029756
H 2.524914 3.462254 0.028011
H -3.540439 -3.298714 0.865774
H -3.269195 -3.464833 -0.891836
H 3.659202 -3.241753 -0.933678
H 3.264049 -3.503809 0.794286
H -1.237817 5.668605 -0.008063
H 1.276184 5.664987 0.020262
H -5.676992 -3.383668 -0.420212
H -5.193582 -1.936146 -1.373913
H 5.683975 -3.356173 0.521753
H 5.099351 -1.918070 1.449642
H -5.608552 -1.842561 1.474014
H 6.428146 -1.071904 -0.279343


