%chk=000096592.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000096592

0 1
 O    2.500700      -1.951400      0.5847000    
 O    3.713300      0.5470000      0.4668000    
 N   -2.643200       1.221400     -0.1618000    
 N   -2.476200      -1.104200     -7.0200004E-02
 C   -1.946200      0.1294000      0.5634000    
 C   -2.585400      0.7677000      -1.569500    
 C   -2.475900     -0.7584000      -1.509300    
 C   -4.047200       1.248200      0.3138000    
 C   -3.864700      -1.293700      0.4138000    
 C   -4.778600     -9.0999998E-02  0.1289000    
 C  -0.4177000      0.2384000      0.5369000    
 C   0.3561000     -0.9164000      0.5733000    
 C   0.1823000       1.491500      0.4775000    
 C    1.747200     -0.8169000      0.5501000    
 C    1.573400       1.591000      0.4542000    
 C    2.355800      0.4367000      0.4905000    
 C    4.292000       1.187100     -0.6688000    
 C    2.840500      -2.542400     -0.6680000    
 C    5.673700      0.6159000     -0.9060000    
 H   -2.187600      0.1543000       1.637000    
 H   -1.690300       1.186600      -2.044600    
 H   -3.446000       1.105500      -2.158100    
 H   -3.276000      -1.260500      -2.065000    
 H   -1.527300      -1.081100      -1.955100    
 H   -4.597000       2.044100     -0.2030000    
 H   -4.053600       1.524900       1.376000    
 H   -3.837700      -1.484700       1.494300    
 H   -4.292400      -2.197800     -3.6300000E-02
 H   -5.658700     -0.1286000      0.7809000    
 H   -5.153900     -0.1584000     -0.9001000    
 H  -9.8499998E-02  -1.901400      0.6347000    
 H  -0.4023000       2.406600      0.4648000    
 H    2.033700       2.574700      0.4191000    
 H    3.678200       1.029200      -1.564400    
 H    4.362400       2.262600     -0.4737000    
 H    1.938700      -2.893900      -1.179200    
 H    3.491300      -3.400000     -0.4771000    
 H    3.376800      -1.830400      -1.302700    
 H    6.151900       1.093600      -1.765800    
 H    6.307100      0.7604000     -2.4499999E-02
 H    5.620600     -0.4628000      -1.085600    


%chk=000096592-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000096592

0 1
O 2.288662 -2.296215 0.328416
O 3.728564 0.081734 -0.270003
N -2.723516 1.252075 -0.228713
N -2.668819 -1.112045 0.099353
C -1.994674 0.167728 0.528546
C -2.800339 0.656911 -1.610784
C -2.759115 -0.920243 -1.392158
C -4.090255 1.395597 0.386688
C -4.031672 -1.148926 0.736533
C -4.920693 0.075623 0.360288
C -0.495585 0.162457 0.239153
C 0.241998 -1.041385 0.327113
C 0.187498 1.362659 -0.055503
C 1.637934 -1.060832 0.136598
C 1.586912 1.362055 -0.247695
C 2.328304 0.160801 -0.139965
C 4.471902 1.344129 -0.447313
C 3.182564 -2.769572 -0.746781
C 5.954654 0.982644 -0.489483
H -2.159555 0.314205 1.612545
H -1.922605 0.986071 -2.191595
H -3.713151 1.003836 -2.124150
H -3.646444 -1.440909 -1.790318
H -1.858442 -1.348743 -1.862733
H -4.630519 2.201627 -0.141639
H -3.938075 1.734261 1.429274
H -3.871917 -1.188398 1.830927
H -4.529445 -2.091449 0.446244
H -5.783270 0.151411 1.050583
H -5.339921 -0.073442 -0.653831
H -0.274764 -1.982091 0.539960
H -0.389544 2.289500 -0.137158
H 2.094660 2.305919 -0.467877
H 4.151169 1.835340 -1.389298
H 4.246553 2.023767 0.399944
H 2.622279 -2.875272 -1.696919
H 3.531937 -3.757844 -0.409920
H 4.034147 -2.083498 -0.886042
H 6.564163 1.897102 -0.607573
H 6.257294 0.477605 0.443535
H 6.170423 0.308605 -1.336348


