%chk=000098129.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000098129

0 1
 O   -2.704400      0.3268000      -1.654800    
 O   -2.587600       1.575000       1.298100    
 O   -4.616500     -0.9475000      -1.571500    
 O  -0.4274000      -3.394400      4.1400000E-02
 O   -4.778900      0.9254000      0.9825000    
 N   -1.305200      -1.257200     -0.1614000    
 N    4.926800     -2.2000000E-03  0.6201000    
 N    5.254800      0.6216000     -0.4125000    
 N    6.500800       1.189000     -0.3594000    
 C   -2.683300      -1.652700     -0.3056000    
 C   -3.374900      -1.784800       1.056500    
 C   -3.162300     -0.5886000       1.990700    
 C   -3.454000     -0.7338000      -1.243100    
 C  -0.2776000      -2.176000      2.4999999E-03
 C   -3.638500      0.7041000       1.365600    
 C    1.085100      -1.606800      0.1640000    
 C   -3.356700       1.243800      -2.539400    
 C    1.248400     -0.3290000      0.6989000    
 C    2.201500      -2.350200     -0.2192000    
 C   -2.881100       2.851800      0.7219000    
 C    2.527800      0.2054000      0.8507000    
 C    3.480900      -1.816000     -6.7500003E-02
 C    3.644100     -0.5382000      0.4676000    
 C   -2.392200       2.354300      -2.897400    
 C   -3.319100       3.798700       1.818800    
 C    7.180600       1.462500      0.8949000    
 C    6.908800       1.918900      -1.542400    
 H   -2.693000      -2.634300     -0.7968000    
 H   -4.450500      -1.947400      0.9141000    
 H   -2.989400      -2.676600       1.566800    
 H   -3.721300     -0.7307000       2.922500    
 H   -2.107100     -0.5062000       2.275600    
 H   -1.102900     -0.2652000     -0.2260000    
 H   -4.244400       1.660000      -2.051400    
 H   -3.662100      0.7151000      -3.449400    
 H   0.4090000      0.2706000       1.038600    
 H    2.094200      -3.345800     -0.6419000    
 H   -1.956600       3.221000      0.2683000    
 H   -3.639300       2.786500     -6.3500002E-02
 H    2.645600       1.199000       1.275500    
 H    4.344500      -2.402900     -0.3691000    
 H   -2.867400       3.084000      -3.558900    
 H   -1.511400       1.944700      -3.403400    
 H   -2.027500       2.870800      -2.007200    
 H   -4.238800       3.447000       2.297300    
 H   -2.556800       3.861400       2.602500    
 H   -3.495700       4.801200       1.418800    
 H    6.757700       2.369600       1.334900    
 H    8.247100       1.611900      0.7019000    
 H    7.077300      0.6231000       1.587400    
 H    7.993200       1.840800      -1.659300    
 H    6.619300       2.967300      -1.430700    
 H    6.426400       1.494300      -2.427900    


%chk=000098129-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000098129

0 1
O -2.584506 0.921263 -1.508580
O -4.775023 1.279695 2.792848
O -4.511534 -0.118228 -0.711715
O -0.110833 -2.507047 0.643970
O -3.450335 2.277186 1.149341
N -0.922910 -0.453090 -0.055857
N 5.521041 0.526716 -0.666961
N 6.471743 -0.390684 -0.616617
N 7.709685 0.113865 -0.850167
C -2.316406 -0.887905 0.088595
C -2.778638 -0.979957 1.576380
C -2.611343 0.321230 2.411282
C -3.264176 -0.009165 -0.734282
C 0.118993 -1.323401 0.221420
C -3.611402 1.399465 2.034953
C 1.512977 -0.812562 -0.004972
C -3.425172 1.945026 -2.208012
C 1.829335 0.553212 -0.236369
C 2.571418 -1.760890 0.025563
C -5.921164 2.173968 2.429728
C 3.161891 0.951695 -0.447339
C 3.902804 -1.372614 -0.186321
C 4.215198 -0.002399 -0.431453
C -2.474447 2.823231 -3.013137
C -6.854646 1.450649 1.454924
C 7.936100 1.542002 -1.129544
C 8.818555 -0.841863 -0.796345
H -2.399315 -1.921865 -0.308283
H -3.831858 -1.312831 1.592468
H -2.162575 -1.768944 2.041166
H -2.748634 0.067980 3.475765
H -1.592023 0.719896 2.267647
H -0.770052 0.432169 -0.541974
H -3.963156 2.504708 -1.423167
H -4.157105 1.413987 -2.842014
H 1.050243 1.324733 -0.227824
H 2.309182 -2.805942 0.221797
H -6.407343 2.386582 3.395598
H -5.513650 3.103307 1.994455
H 3.418079 2.001680 -0.621900
H 4.711508 -2.108737 -0.167261
H -3.051394 3.598995 -3.548886
H -1.918147 2.229448 -3.758763
H -1.750366 3.328619 -2.351523
H -6.328008 1.188770 0.521705
H -7.247214 0.521488 1.902926
H -7.711885 2.104673 1.207395
H 7.362643 1.855351 -2.020831
H 9.013250 1.700437 -1.295489
H 7.585492 2.162289 -0.284401
H 9.542343 -0.568232 -0.005211
H 9.354523 -0.885047 -1.763477
H 8.398251 -1.833811 -0.572554


