%chk=000034739.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000034739

0 1
 O  -0.3504000     -9.7300000E-02 -0.1678000    
 O   -5.160300       2.333500      0.1726000    
 O    1.052200      0.3125000      -1.927100    
 N   -3.155900      0.3127000      0.1952000    
 N    1.831200      0.1582000      0.2751000    
 C   -2.612100     -0.9777000     -0.2229000    
 C   -1.294800     -0.7826000     -0.9911000    
 C   -2.424700      -1.898500      0.9912000    
 C  -0.7049000      -2.134700      -1.404300    
 C   -1.827500      -3.242500      0.5752000    
 C  -0.5286000      -3.071800     -0.2081000    
 C   -3.338700       1.201200     -0.9609000    
 C   -4.432400      0.1368000      0.9018000    
 C   -3.917700       2.536100     -0.5013000    
 C   -4.986500       1.496700       1.316800    
 C   0.8797000      0.1435000     -0.7262000    
 C    3.223100      0.3700000      0.1501000    
 C    4.037000      0.3492000       1.272300    
 C    3.748500      0.5956000      -1.113600    
 C    5.408400      0.5591000       1.128300    
 C    3.484500      0.1075000       2.639600    
 C    5.120000      0.8054000      -1.257800    
 C    5.949900      0.7871000     -0.1369000    
 H   -3.323000      -1.468800     -0.9044000    
 H   -1.448200     -0.2217000      -1.919100    
 H   -3.372800      -2.138300       1.481700    
 H   -1.777300      -1.426500       1.741200    
 H   0.2588000      -2.038000      -1.913600    
 H   -1.383800      -2.610400      -2.124200    
 H   -2.553000      -3.788200     -4.1000001E-02
 H   -1.641900      -3.855000       1.464900    
 H   0.2508000      -2.682500      0.4579000    
 H  -0.1831000      -4.051000     -0.5590000    
 H   -4.009200      0.7434000      -1.699300    
 H   -2.395100       1.453100      -1.451000    
 H   -4.321100     -0.4267000       1.831400    
 H   -5.161100     -0.3779000      0.2625000    
 H   -3.225900       3.071900      0.1603000    
 H   -4.110800       3.177500      -1.367200    
 H   -5.966500       1.372600       1.788800    
 H   -4.331400       1.997900       2.040000    
 H    1.476400     -5.7000001E-03   1.212700    
 H    3.177500      0.6253000      -2.029500    
 H    6.069800      0.5483000       1.990600    
 H    2.758900      0.8837000       2.904500    
 H    3.005500     -0.8758000       2.692900    
 H    4.269500      0.1256000       3.403800    
 H    5.543200      0.9830000      -2.242400    
 H    7.017700      0.9505000     -0.2494000    


%chk=000034739-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000034739

0 1
O -0.192635 -0.999495 -0.138235
O -4.143575 2.830503 0.287596
O 0.917621 -0.022371 -1.978243
N -2.875971 0.188797 0.238666
N 1.823303 -0.066228 0.219163
C -2.635359 -1.218650 -0.207111
C -1.334394 -1.392085 -1.023879
C -2.628401 -2.200676 0.995169
C -1.129272 -2.850544 -1.479593
C -2.448542 -3.667613 0.534562
C -1.157152 -3.843052 -0.297306
C -2.549208 1.234043 -0.771574
C -4.280225 0.384935 0.697185
C -2.759353 2.633376 -0.170311
C -4.470200 1.794678 1.278403
C 0.876395 -0.324590 -0.757297
C 3.082760 0.582379 0.078243
C 3.868492 0.750449 1.262208
C 3.556879 1.047239 -1.175724
C 5.124982 1.387311 1.144724
C 3.370571 0.263211 2.613515
C 4.815980 1.678352 -1.255908
C 5.607770 1.852374 -0.099627
H -3.450596 -1.541312 -0.913565
H -1.307514 -0.731309 -1.907886
H -3.567331 -2.112420 1.570601
H -1.802101 -1.905211 1.667689
H -0.175476 -2.916733 -2.035084
H -1.936895 -3.098795 -2.198209
H -3.324029 -3.973690 -0.075811
H -2.428592 -4.334054 1.418042
H -0.276857 -3.662005 0.349197
H -1.077039 -4.879937 -0.675401
H -3.180683 1.133506 -1.691275
H -1.491260 1.155074 -1.073310
H -4.524752 -0.352850 1.481081
H -5.002434 0.239427 -0.147638
H -2.060144 2.773606 0.682465
H -2.583314 3.415693 -0.926981
H -5.523847 1.969187 1.553721
H -3.823842 1.915363 2.174878
H 1.557652 -0.384207 1.152922
H 2.937989 0.911744 -2.065029
H 5.732782 1.520310 2.047840
H 2.423365 0.756140 2.912143
H 3.198873 -0.832359 2.627795
H 4.109916 0.482474 3.401135
H 5.174490 2.033833 -2.228279
H 6.585072 2.342480 -0.162368


