%chk=000006462.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000006462

0 1
 O   -1.351100     -0.7522000      0.1121000    
 O    4.748000      0.3343000      0.9268000    
 O  -0.6554000      -2.937700     -8.4200002E-02
 N   -5.896300      0.9133000     -0.2215000    
 C   -5.068200     -0.2859000     -0.2584000    
 C   -3.603300      7.5099997E-02 -3.4499999E-02
 C   -7.155400      0.6930000     -0.9353000    
 C   -6.160600       1.315100       1.161300    
 C   -2.709600      -1.156500     -8.9400001E-02
 C   -6.904700      0.2747000      -2.374200    
 C   -6.967300       2.601500       1.214500    
 C    6.700000       1.269000     -9.7900003E-02
 C    7.745200       1.114000      -1.198900    
 C    5.698500      0.1229000     -0.1082000    
 C  -0.4032000      -1.738600      9.3900003E-02
 C   0.9312000      -1.202200      0.3106000    
 C    3.490700     -0.1727000      0.7249000    
 C    8.717600       2.282600      -1.212600    
 C    2.037600      -1.834500     -0.2568000    
 C    1.104700     -5.5000000E-02   1.085000    
 C    3.317200      -1.319800     -4.9699999E-02
 C    2.384400      0.4596000       1.292300    
 H   -5.403900      -1.029100      0.4771000    
 H   -5.085600     -0.7946000      -1.224900    
 H   -3.267200      0.7961000     -0.7915000    
 H   -3.446400      0.5654000      0.9329000    
 H   -7.784500     -5.5900000E-02 -0.4380000    
 H   -7.729600       1.623300     -0.9938000    
 H   -6.688000      0.5314000       1.720100    
 H   -5.220300       1.507500       1.688400    
 H   -2.796000      -1.645600      -1.066500    
 H   -2.994100      -1.865700      0.6966000    
 H   -6.107800      0.8625000      -2.842700    
 H   -6.676500     -0.7908000      -2.473700    
 H   -7.814500      0.4426000      -2.962900    
 H   -6.547300       3.371700      0.5585000    
 H   -8.019600       2.448100      0.9566000    
 H   -6.952400       3.000100       2.235300    
 H    6.163600       2.219100     -0.2153000    
 H    7.186700       1.319600      0.8842000    
 H    8.303100      0.1815000      -1.054000    
 H    7.252100       1.048600      -2.175800    
 H    5.222100      0.1029000      -1.097100    
 H    6.214200     -0.8285000      6.6500001E-02
 H    9.251500       2.359600     -0.2600000    
 H    9.458200       2.150100      -2.007400    
 H    8.193600       3.227100      -1.390400    
 H    1.919700      -2.730700     -0.8605000    
 H   0.2631000      0.4522000       1.549500    
 H    4.153600      -1.857200     -0.4868000    
 H    2.514200       1.352200       1.898200    


%chk=000006462-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000006462

0 1
O -1.497642 -0.545700 -0.270308
O 4.655522 1.148620 -0.247669
O -0.602752 -2.692348 -0.450839
N -6.302402 0.570556 0.053174
C -5.314007 -0.524668 -0.125798
C -3.858480 -0.004500 -0.144557
C -7.625192 0.255555 -0.552736
C -6.414012 1.008876 1.472070
C -2.857961 -1.152291 -0.286214
C -7.627556 0.376217 -2.088744
C -6.900076 2.463792 1.614996
C 7.065176 1.377532 -0.266552
C 8.444172 0.681413 -0.346501
C 5.913030 0.373642 -0.326635
C -0.428369 -1.448854 -0.359695
C 0.887685 -0.762587 -0.331916
C 3.446812 0.450287 -0.281716
C 9.613445 1.687268 -0.284283
C 2.060717 -1.554247 -0.412169
C 1.010758 0.651430 -0.226725
C 3.337526 -0.962230 -0.388383
C 2.277470 1.253075 -0.201631
H -5.424091 -1.311090 0.665755
H -5.522072 -1.023670 -1.090563
H -3.744154 0.705351 -0.982982
H -3.635655 0.553093 0.784301
H -7.980627 -0.763368 -0.250877
H -8.359617 0.973961 -0.145682
H -7.081506 0.325138 2.057031
H -5.411342 0.929882 1.930928
H -2.984851 -1.707244 -1.234923
H -2.928807 -1.879502 0.544823
H -7.332666 1.396866 -2.388068
H -6.924134 -0.332868 -2.562122
H -8.635749 0.163920 -2.491343
H -6.216778 3.144090 1.077827
H -7.914644 2.605289 1.200186
H -6.931522 2.758240 2.680830
H 6.957996 2.098928 -1.099081
H 6.988968 1.957009 0.673328
H 8.540086 -0.048143 0.483481
H 8.510420 0.096857 -1.286814
H 5.932155 -0.200503 -1.276297
H 5.959575 -0.339551 0.522518
H 9.590631 2.264005 0.659195
H 10.589814 1.173119 -0.343272
H 9.559725 2.409403 -1.120297
H 1.950518 -2.640885 -0.492692
H 0.105711 1.261709 -0.166411
H 4.226791 -1.595293 -0.452083
H 2.393962 2.337917 -0.121466


