%chk=000113713.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000113713

0 1
 O   -4.165700      -3.274500      0.2671000    
 O   -3.858000     -0.5118000      0.3331000    
 N    2.799700      -1.353300      0.5113000    
 N  -0.7495000      -2.008800     -0.3971000    
 C    1.599300      -1.295700     -0.3109000    
 C    1.240500      0.1627000     -0.6130000    
 C    2.406200      0.8612000      -1.312900    
 C   0.4567000      -1.995400      0.4174000    
 C    3.698400      0.6462000     -0.5654000    
 C    3.844700     -0.4623000      0.2923000    
 C   -1.844700      -2.667700      0.3024000    
 C    4.769000       1.530200     -0.7608000    
 C    5.057500     -0.6269000      0.9774000    
 C   -3.142500      -2.643800     -0.5085000    
 C    5.971700       1.340200     -8.3600000E-02
 C    6.114500      0.2651000      0.7886000    
 C   -3.604800      -1.233500     -0.8683000    
 C   -3.647000      0.8406000      0.2945000    
 C   -3.824500       1.532200     -0.8990000    
 C   -3.256200       1.510400       1.448900    
 C   -3.608600       2.909700     -0.9386000    
 C   -3.040300       2.887900       1.409500    
 C   -3.216600       3.587400      0.2156000    
 H    1.804600      -1.820400      -1.253900    
 H    1.008700      0.6933000      0.3209000    
 H   0.3534000      0.2351000      -1.252300    
 H    2.521600      0.4681000      -2.330300    
 H    2.185600       1.932400      -1.388000    
 H   0.2641000      -1.487300       1.371600    
 H   0.7567000      -3.023900      0.6574000    
 H    2.987400      -2.190300       1.051600    
 H  -0.5692000      -2.482700      -1.281400    
 H   -2.019400      -2.193300       1.276900    
 H   -1.583500      -3.711800      0.5191000    
 H    4.667300       2.374400      -1.438100    
 H    5.190100      -1.460900       1.663300    
 H   -3.020900      -3.224800      -1.430500    
 H    6.795500       2.031600     -0.2343000    
 H    7.049300      0.1186000       1.321800    
 H   -2.840800     -0.7600000      -1.496900    
 H   -4.546100      -1.292800      -1.427700    
 H   -3.876200      -4.185000      0.4484000    
 H   -4.159400       1.048800      -1.811600    
 H   -3.116700      0.9690000       2.380400    
 H   -3.752600       3.456100      -1.866100    
 H   -2.734900       3.415700       2.308200    
 H   -3.050000       4.660300      0.1853000    


%chk=000113713-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000113713

0 1
O -4.326348 -3.089343 -0.061199
O -3.267132 -0.372096 0.373622
N 2.868571 -1.388308 0.529662
N -0.604017 -2.498726 -0.360866
C 1.662273 -1.475708 -0.305958
C 1.286693 -0.063064 -0.803494
C 2.471900 0.577568 -1.559219
C 0.528072 -2.137883 0.511257
C 3.755194 0.524868 -0.736091
C 3.901970 -0.473448 0.279097
C -1.868738 -2.859275 0.301516
C 4.808735 1.440582 -0.945268
C 5.103235 -0.523892 1.042369
C -3.070641 -2.579501 -0.631873
C 6.005197 1.389307 -0.193358
C 6.143235 0.396590 0.805703
C -3.274108 -1.090912 -0.906791
C -3.438049 1.019142 0.340399
C -3.606731 1.779155 -0.845024
C -3.433137 1.661166 1.604898
C -3.767439 3.181731 -0.750509
C -3.593576 3.058142 1.680860
C -3.761544 3.829656 0.503716
H 1.856030 -2.113681 -1.205482
H 1.016779 0.558807 0.071805
H 0.395178 -0.140240 -1.450165
H 2.619605 0.046682 -2.523331
H 2.234077 1.626651 -1.817107
H 0.168251 -1.419919 1.271330
H 0.949876 -3.017167 1.066357
H 3.053509 -2.151356 1.181618
H -0.331250 -3.168170 -1.092112
H -1.988578 -2.238375 1.205196
H -1.911746 -3.931526 0.624694
H 4.687243 2.212017 -1.717316
H 5.213786 -1.287259 1.823967
H -2.881829 -3.067154 -1.617455
H 6.808996 2.109413 -0.378339
H 7.060013 0.339996 1.404131
H -2.442879 -0.729258 -1.543591
H -4.244335 -0.944375 -1.420654
H -4.172183 -3.998856 0.301270
H -3.617003 1.299579 -1.828098
H -3.308283 1.049350 2.503801
H -3.898570 3.766389 -1.668358
H -3.589306 3.547351 2.661456
H -3.886596 4.915648 0.566733


