%chk=000036331.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000036331

0 1
 O    2.861200      -3.245900     -3.4699999E-02
 O   0.5503000      -3.920400      4.2700000E-02
 O   0.8685000       3.680800      7.9000004E-02
 N    1.658800       1.518400     -6.8999999E-03
 N  -0.6848000       2.044200      4.9400002E-02
 C    3.051900       1.958100     -3.2099999E-02
 C    1.367700      0.1235000     -1.7300000E-02
 C   1.9800000E-02 -0.2848000      1.0300000E-02
 C  -0.9949000      0.7877000      2.3000000E-02
 C    2.380200     -0.8522000     -3.9999999E-02
 C  -0.3280000      -1.644200      4.2300001E-02
 C    2.011200      -2.182800     -2.1400001E-02
 C   0.6949000      -2.567500      2.1800000E-02
 C   0.6252000       2.472500      4.4199999E-02
 C    3.380600       2.748000       1.228100    
 C    3.331400       2.777500      -1.285900    
 C   -2.434000      0.4615000      1.9000000E-03
 C    1.927900      -4.344500      4.6999999E-03
 C   -3.117200      0.2836000       1.199700    
 C   -3.093500      0.3356000      -1.215600    
 C   -4.477400     -2.4400000E-02   1.179800    
 C   -4.454000      2.7700000E-02  -1.235400    
 C   -5.145800     -0.1523000     -3.7599999E-02
 H    3.764800       1.140500     -5.6000002E-02
 H    3.441900     -0.6568000     -6.7000002E-02
 H   -1.356700      -1.983900      7.5199999E-02
 H    4.458900       2.938700       1.280700    
 H    2.890700       3.723800       1.278200    
 H    3.102200       2.185300       2.126100    
 H    3.044000       2.221700      -2.185400    
 H    4.402200       2.998600      -1.362100    
 H    2.809200       3.737700      -1.306900    
 H    2.134100      -4.948500      0.8958000    
 H    2.079600      -4.966300     -0.8850000    
 H   -2.605200      0.3812000       2.153200    
 H   -2.563100      0.4740000      -2.153900    
 H   -5.016100     -0.1646000       2.112400    
 H   -4.974500     -7.2099999E-02  -2.183300    
 H   -6.204800     -0.3922000     -5.2999999E-02


%chk=000036331-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000036331

0 1
O 2.964343 -3.278814 -0.209813
O 0.705758 -4.049068 0.071660
O 0.957733 3.514020 1.079643
N 1.630985 1.495142 0.073228
N -0.703767 1.974793 0.492742
C 3.001477 2.043183 -0.228881
C 1.373494 0.114306 0.011983
C 0.004479 -0.335307 0.138703
C -1.020215 0.699609 0.239590
C 2.433985 -0.840338 -0.128827
C -0.296860 -1.737964 0.182893
C 2.084585 -2.184159 -0.121077
C 0.749916 -2.631113 0.042698
C 0.631049 2.390668 0.602535
C 3.826744 2.217840 1.066804
C 2.931454 3.337553 -1.069604
C -2.475805 0.415123 0.063643
C 2.103265 -4.497861 -0.136557
C -3.413200 1.152641 0.836163
C -2.957572 -0.510156 -0.902894
C -4.797623 0.945203 0.671617
C -4.344875 -0.706124 -1.075606
C -5.269332 0.011871 -0.282326
H 3.483035 1.284239 -0.871038
H 3.482655 -0.551663 -0.192628
H -1.319926 -2.079044 0.348030
H 4.852116 2.546446 0.817824
H 3.355039 2.980536 1.707287
H 3.895260 1.272481 1.635400
H 2.303956 3.190791 -1.966968
H 3.953339 3.594833 -1.402968
H 2.524129 4.176236 -0.486374
H 2.424309 -5.104061 0.726407
H 2.175678 -5.037515 -1.096559
H -3.031305 1.890367 1.548428
H -2.253246 -1.043990 -1.549689
H -5.508918 1.513326 1.280958
H -4.703265 -1.410621 -1.834231
H -6.345678 -0.146210 -0.413196


