%chk=000126983.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000126983

0 1
 O    2.460400      0.8337000      -2.100000    
 O    2.536700      0.6603000       3.281700    
 O    4.152200       1.298900       1.805700    
 O   -1.229500       3.309500       1.699900    
 O   -3.706700      0.3879000     -0.4870000    
 O   0.1430000       4.608000      0.4600000    
 O   -3.116100       1.692800      -2.282300    
 N    2.987200     -0.2727000     -0.1148000    
 N   -1.947200       1.771700     -0.2793000    
 C    2.741500     -0.6046000       1.309200    
 C    3.569700      -1.858300       1.629900    
 C    4.494000      -1.919600      0.4534000    
 C    4.106300      -1.023100     -0.5467000    
 C    2.233500      0.5749000     -0.9172000    
 C    1.034100       1.203300     -0.2480000    
 C   0.2948000       2.105100      -1.225800    
 C    3.239100      0.5531000       2.127400    
 C    5.568500      -2.777600      0.2773000    
 C    4.792200     -0.9704000      -1.751000    
 C  -0.9662000       2.761200     -0.6471000    
 C    6.269400      -2.723100     -0.9270000    
 C    5.882800      -1.826900      -1.933700    
 C  -0.6081000       3.641900      0.5425000    
 C   -2.939700       1.320400      -1.127000    
 C   -4.781000     -0.1691000      -1.252800    
 C   -5.517500      -1.167700     -0.4091000    
 C   -5.125100      -2.506400     -0.4107000    
 C   -6.594300     -0.7577000      0.3772000    
 C   -5.809500      -3.434800      0.3737000    
 C   -7.278500      -1.686100       1.161600    
 C   -6.886100      -3.024700       1.159800    
 H    1.672000     -0.7549000       1.484800    
 H    2.931800      -2.748700       1.635500    
 H    4.114400      -1.789200       2.576600    
 H   0.3702000      0.4042000      9.7199999E-02
 H    1.371200       1.783600      0.6153000    
 H   0.9745000       2.894400      -1.574300    
 H   9.8999999E-03   1.527300      -2.115500    
 H    5.856200      -3.481700       1.050700    
 H    4.526800     -0.2861000      -2.547300    
 H   -1.417900       3.415700      -1.402100    
 H    7.116600      -3.383400      -1.090300    
 H    6.438100      -1.798400      -2.867500    
 H   -1.906000       1.372000      0.6537000    
 H    2.847500       1.411200       3.831100    
 H  -0.9888000       3.915800       2.432500    
 H   -4.381700     -0.6547000      -2.151900    
 H   -5.460700      0.6303000      -1.573000    
 H   -4.286400      -2.837800      -1.017200    
 H   -6.908000      0.2828000      0.3886000    
 H   -5.503600      -4.476900      0.3730000    
 H   -8.116600      -1.366700       1.774300    
 H   -7.418800      -3.747400       1.770900    


%chk=000126983-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000126983

0 1
O 2.499369 0.930287 -1.840066
O 0.678724 -0.338581 3.424126
O 2.194207 1.029696 2.315195
O -0.769258 4.777839 0.724428
O -3.809889 1.473587 0.122876
O 0.339905 5.466736 -1.199107
O -2.966938 1.432530 -2.088523
N 1.861546 -0.474141 -0.098359
N -2.111276 2.871768 -0.445098
C 1.044597 -0.826269 1.096724
C 1.354780 -2.337569 1.368150
C 2.620592 -2.579769 0.565370
C 2.859550 -1.487195 -0.307103
C 1.742254 0.703918 -0.848066
C 0.673476 1.716924 -0.429068
C 0.055313 2.401559 -1.665572
C 1.404791 0.065948 2.296582
C 3.474188 -3.693798 0.563104
C 3.944317 -1.493465 -1.211279
C -1.054091 3.439043 -1.294646
C 4.576577 -3.712830 -0.328816
C 4.798348 -2.623469 -1.203497
C -0.424075 4.661372 -0.635004
C -2.952188 1.895308 -0.915142
C -4.646353 0.268814 -0.202511
C -3.892978 -1.013210 0.088613
C -3.082364 -1.613702 -0.911018
C -3.979598 -1.624123 1.365760
C -2.370288 -2.802576 -0.634091
C -3.269209 -2.813444 1.644058
C -2.463345 -3.405946 0.643230
H -0.034526 -0.693468 0.904568
H 0.519603 -2.958596 0.994894
H 1.459703 -2.539386 2.446067
H -0.125766 1.256962 0.176948
H 1.175693 2.460448 0.221622
H 0.840833 2.907411 -2.251423
H -0.414179 1.647137 -2.320101
H 3.291023 -4.537187 1.238587
H 4.104946 -0.651757 -1.885125
H -1.494715 3.785903 -2.249368
H 5.255475 -4.572225 -0.341424
H 5.650015 -2.646988 -1.892509
H -2.190920 3.184931 0.524084
H 0.898505 0.256157 4.191459
H -0.317906 5.571923 1.118234
H -4.942908 0.337168 -1.263086
H -5.522168 0.391483 0.453380
H -3.010508 -1.137312 -1.894994
H -4.604749 -1.166252 2.142183
H -1.754132 -3.262170 -1.415119
H -3.347703 -3.279796 2.632380
H -1.925700 -4.338325 0.852391


