%chk=000117638.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000117638

0 1
 O   -2.460600      -1.598500      0.3558000    
 O    2.847500      -1.393900     -0.2066000    
 O   -3.461000      -2.873000      -1.151200    
 O    4.842400      -2.253300     -0.6286000    
 O   -4.763400      -1.592800      0.2552000    
 O    4.662100     -0.6138000      0.9816000    
 N  -0.3246000      0.1966000      0.7447000    
 C   -1.076800     -0.3391000       1.861900    
 C   0.5645000     -0.6790000      7.4000000E-03
 C  -0.4460000       1.555800      0.3881000    
 C   -2.495700     -0.6625000       1.425700    
 C    1.991300     -0.5047000      0.4993000    
 C   0.2922000       2.065600     -0.6798000    
 C   -1.304400       2.390300       1.104000    
 C   0.1723000       3.410000      -1.031800    
 C   -1.424600       3.734600      0.7521000    
 C  -0.6862000       4.244500     -0.3158000    
 C   0.9617000       3.955700      -2.173100    
 C   -3.673800      -1.983500     -0.1414000    
 C    4.169900      -1.346600      0.1343000    
 C   -4.639200      -3.379300      -1.787300    
 C    6.252300      -2.333100     -0.3946000    
 H  -0.6021000      -1.271400       2.196300    
 H   -1.055100      0.3136000       2.741600    
 H   0.2797000      -1.728600      0.1636000    
 H   0.4838000     -0.5613000      -1.080000    
 H   -3.035900      -1.104600       2.271300    
 H   -3.037400      0.2315000       1.100600    
 H    2.347200      0.5213000      0.3578000    
 H    2.043300     -0.7347000       1.571200    
 H   0.9722000       1.461100      -1.270500    
 H   -1.902000       2.059400       1.945900    
 H   -2.091600       4.385400       1.310000    
 H  -0.7883000       5.294200     -0.5777000    
 H   0.5599000       4.913500      -2.520800    
 H   0.9366000       3.267700      -3.025000    
 H    2.002500       4.109400      -1.870900    
 H   -4.329800      -4.075600      -2.571200    
 H   -5.202700      -2.561400      -2.246400    
 H   -5.258500      -3.917600      -1.063600    
 H    6.665900      -3.091000      -1.065400    
 H    6.448100      -2.634200      0.6389000    
 H    6.727600      -1.372400     -0.6146000    


%chk=000117638-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000117638

0 1
O -2.419266 -1.782389 0.442990
O 2.763472 -1.335191 -0.388572
O -3.254192 -3.353326 -0.897183
O 4.658997 -2.381682 -0.916383
O -4.743492 -1.828095 0.094926
O 4.593427 -1.131914 1.073626
N -0.358472 0.416583 0.702285
C -1.170776 -0.188948 1.764388
C 0.530912 -0.474814 -0.060489
C -0.471242 1.790314 0.394121
C -2.587669 -0.594418 1.331871
C 1.961032 -0.456111 0.510147
C 0.367017 2.396714 -0.594638
C -1.421572 2.625643 1.058135
C 0.271788 3.768743 -0.915728
C -1.508938 3.996859 0.741249
C -0.676553 4.578105 -0.236963
C 1.182587 4.376458 -1.970866
C -3.590802 -2.274605 -0.101285
C 4.058766 -1.570302 0.029606
C -4.406425 -4.003886 -1.566964
C 6.065900 -2.737388 -0.612227
H -0.656078 -1.093272 2.136687
H -1.253253 0.502324 2.624483
H 0.129879 -1.500864 -0.023498
H 0.552098 -0.186969 -1.126322
H -3.209661 -0.887100 2.198730
H -3.101030 0.204491 0.770431
H 2.397752 0.558188 0.506425
H 2.001476 -0.852873 1.540611
H 1.113787 1.797120 -1.124652
H -2.100357 2.220544 1.813818
H -2.247624 4.614563 1.265560
H -0.758718 5.644700 -0.475199
H 0.594959 4.834713 -2.788483
H 1.851218 3.621394 -2.419225
H 1.815544 5.174702 -1.539427
H -3.963223 -4.837730 -2.128113
H -4.906865 -3.291650 -2.244203
H -5.130190 -4.367746 -0.818557
H 6.381150 -3.361154 -1.459764
H 6.123371 -3.297980 0.335953
H 6.684562 -1.827452 -0.536301


