%chk=000048434.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000048434

0 1
 O  -0.3780000       1.244100      -1.587100    
 O   0.8579000      -1.808700       1.668700    
 O   -3.440000     -0.2385000       1.577000    
 N   -2.012100      0.4154000     -0.1509000    
 N   -1.307200      -1.058200       1.558500    
 C   0.1157000     -0.8031000     -0.4072000    
 C    1.592700     -0.4842000     -0.6870000    
 C    2.080500      0.6519000      0.2059000    
 C  -0.3241000      -1.973700      -1.305200    
 C  -0.7520000      0.4002000     -0.7707000    
 C    3.575300      0.9672000      1.3100000E-02
 C  -3.9400000E-02  -1.253700       1.036000    
 C  -0.1701000      -1.620900      -2.767400    
 C   -2.341900     -0.2986000       1.017300    
 C    4.409100     -0.2888000      0.2788000    
 C    4.054100       2.104300      0.9168000    
 C   -3.004000       1.355600     -0.6591000    
 C   -2.916500       2.689700      6.2500000E-02
 H    2.184000      -1.391700     -0.5248000    
 H    1.764400     -0.1730000      -1.722800    
 H    1.519100       1.571300      4.9999999E-03
 H    1.916100      0.4256000       1.265200    
 H   -1.371800      -2.239800      -1.115100    
 H   0.2638000      -2.873300      -1.082100    
 H    3.739600       1.275800      -1.027200    
 H  -0.7595000     -0.7531000      -3.072900    
 H   0.8698000      -1.476400      -3.069900    
 H  -0.5388000      -2.460800      -3.369000    
 H   -1.486400      -1.470900       2.469800    
 H    4.284000      -1.035500     -0.5107000    
 H    4.151800     -0.7475000       1.239600    
 H    5.477100     -4.4000000E-02  0.3028000    
 H    3.941900       1.843900       1.974700    
 H    5.108800       2.333700      0.7324000    
 H    3.475600       3.014900      0.7293000    
 H   -2.848100       1.507700      -1.733100    
 H   -4.006500      0.9331000     -0.5283000    
 H   -3.096400       2.574700       1.136400    
 H   -1.927700       3.143200     -6.1900001E-02
 H   -3.662600       3.385000     -0.3343000    


%chk=000048434-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000048434

0 1
O -0.571819 1.039571 -1.806365
O 0.633755 -2.275151 1.492723
O -3.387133 0.007660 1.767750
N -2.029869 0.470205 -0.093869
N -1.366618 -1.122206 1.557690
C 0.063191 -0.917443 -0.479465
C 1.561511 -0.534735 -0.655932
C 2.047061 0.557770 0.323065
C -0.338056 -2.116380 -1.446963
C -0.834177 0.280352 -0.834461
C 3.503352 1.028246 0.058840
C -0.162555 -1.479011 0.930536
C -0.080747 -1.877225 -2.947141
C -2.335399 -0.202595 1.109554
C 4.531099 -0.111472 0.262791
C 3.846510 2.235393 0.963630
C -2.978321 1.537070 -0.533742
C -2.654826 2.899944 0.105999
H 2.153021 -1.457698 -0.519992
H 1.702220 -0.178280 -1.691574
H 1.379856 1.440925 0.242515
H 1.979166 0.187047 1.366619
H -1.409309 -2.353485 -1.286758
H 0.241029 -2.993152 -1.099556
H 3.562070 1.363866 -0.999095
H -0.580269 -0.964752 -3.314018
H 0.996365 -1.784543 -3.166529
H -0.465666 -2.738543 -3.523519
H -1.572199 -1.561782 2.461227
H 4.368485 -0.949777 -0.438555
H 4.465296 -0.513884 1.292157
H 5.562118 0.257584 0.107681
H 3.796593 1.950530 2.032608
H 4.868317 2.607397 0.762188
H 3.141662 3.072749 0.802561
H -2.899562 1.596068 -1.630971
H -3.989643 1.203926 -0.250372
H -2.728382 2.846624 1.205884
H -1.642186 3.235486 -0.175926
H -3.377743 3.656598 -0.248114


