%chk=000100685.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000100685

0 1
 O   -2.488900      -2.686300     -1.2500000E-02
 O   -4.554500       1.412200     -0.1736000    
 O    4.976600      0.7987000     -0.2554000    
 N   0.1871000       1.292300      0.1359000    
 N   -2.267300       1.312100     -2.7799999E-02
 N   -3.536300     -0.6450000     -8.0100000E-02
 C   -1.068700      0.6183000      5.7900000E-02
 C    1.402800      0.5620000      4.8999999E-02
 C   -1.114900     -0.7364000      5.2900001E-02
 C    1.321100     -0.9130000      8.3999999E-02
 C   0.1133000      -1.505700      0.1051000    
 C   0.2111000       2.759000      0.2769000    
 C    2.635400       1.101400     -6.9700003E-02
 C   -2.421400      -1.459500     -1.4500000E-02
 C    2.518900      -1.736100      9.8200001E-02
 C   -3.524000      0.7416000     -9.8099999E-02
 C    3.874400      0.2768000     -0.1244000    
 C    3.735400      -1.192300     -3.7000000E-03
 H   2.9100001E-02  -2.588600      0.1359000    
 H   -2.223300       2.324800     -5.5100001E-02
 H   0.1425000       3.233100     -0.7076000    
 H    1.116100       3.115400      0.7789000    
 H  -0.6115000       3.118100      0.9049000    
 H    2.799700       2.171200     -0.1350000    
 H    2.420400      -2.814200      0.1818000    
 H   -4.442800      -1.101300     -0.1279000    
 H    4.633700      -1.798000     -5.2999998E-03


%chk=000100685-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000100685

0 1
O -2.635576 -2.740749 0.044180
O -4.548883 1.528799 -0.147374
O 5.025665 0.961087 -0.161602
N 0.162212 1.228225 0.097494
N -2.226673 1.336395 -0.041538
N -3.569227 -0.604083 -0.023714
C -1.057620 0.583251 0.031974
C 1.397317 0.491521 0.028391
C -1.142583 -0.827727 0.045863
C 1.306582 -0.970834 0.067755
C 0.058839 -1.591865 0.089572
C 0.243319 2.698248 0.251216
C 2.627143 1.128173 -0.056694
C -2.450944 -1.492001 0.021014
C 2.545623 -1.722953 0.060934
C -3.536130 0.788038 -0.073925
C 3.886318 0.372798 -0.078062
C 3.770422 -1.098960 -0.002514
H -0.034525 -2.682366 0.115967
H -2.212511 2.351781 -0.147351
H 0.386680 3.202838 -0.721209
H 1.099119 2.935129 0.901469
H -0.654133 3.092404 0.752980
H 2.740020 2.212239 -0.135990
H 2.473065 -2.816369 0.101872
H -4.497638 -1.037514 -0.039987
H 4.708119 -1.664905 -0.010021


