%chk=000048748.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000048748

0 1
 O   -1.317200       1.529100       1.856700    
 O  -0.4212000     -0.5048000      -2.279700    
 O   -3.087200      -2.577400      0.8271000    
 N   -2.280500     -0.4773000       1.300800    
 N   -1.832400      -1.493500     -0.7653000    
 C    1.222400       1.170000      0.1175000    
 C  -6.6000000E-03   1.735000     -0.6259000    
 C   -1.272200      0.8778000     -0.4787000    
 C    1.599900     -0.2689000     -0.3077000    
 C    2.441600       2.110400     -1.1600000E-02
 C    2.847900     -0.8435000      0.3708000    
 C   -2.466000       1.622200      -1.103300    
 C   -1.589600      0.6874000       1.001200    
 C   -1.100300     -0.4229000      -1.256700    
 C    2.180900       3.522500      0.4963000    
 C    3.162800      -2.245600     -0.1546000    
 C   -2.458700      -1.578700      0.4723000    
 C    4.376400      -2.841800      0.5408000    
 H    1.000800       1.125700       1.190600    
 H   0.2466000       1.871400      -1.685800    
 H  -0.2288000       2.737100     -0.2393000    
 H   0.8018000     -0.9618000     -3.9400000E-02
 H    1.768400     -0.2949000      -1.389700    
 H    3.277200       1.731800      0.5842000    
 H    2.778700       2.153500      -1.054100    
 H    3.724900     -0.2210000      0.1703000    
 H    2.699900     -0.8693000       1.456900    
 H   -2.292700       1.829600      -2.165700    
 H   -3.388700       1.034100      -1.033200    
 H   -2.651100       2.576900     -0.5975000    
 H    1.511100       4.074800     -0.1690000    
 H    3.121400       4.081900      0.5412000    
 H    1.748100       3.509500       1.501600    
 H    3.348200      -2.207300      -1.234400    
 H    2.301300      -2.905000      3.5000001E-03
 H   -2.625300     -0.5686000       2.252200    
 H   -1.846800      -2.333900      -1.336500    
 H    4.209400      -2.924300       1.619500    
 H    4.582000      -3.843800      0.1514000    
 H    5.265500      -2.224600      0.3766000    


%chk=000048748-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000048748

0 1
O -1.501877 1.368069 1.928100
O -0.976173 -0.146480 -2.669071
O -2.514446 -2.988950 0.668653
N -1.991701 -0.785839 1.252254
N -1.783787 -1.508963 -0.987504
C 1.269935 1.211281 0.104249
C -0.006242 1.754470 -0.595718
C -1.323468 0.913936 -0.478692
C 1.641513 -0.227705 -0.349911
C 2.450157 2.198555 -0.133638
C 2.871051 -0.838142 0.363940
C -2.523986 1.823657 -0.928435
C -1.588707 0.538358 0.986923
C -1.313405 -0.267634 -1.464242
C 2.215325 3.636495 0.383210
C 3.035273 -2.349672 0.080598
C -2.127318 -1.842337 0.333509
C 4.276626 -2.958750 0.767160
H 1.076909 1.186354 1.198646
H 0.187694 1.882252 -1.678784
H -0.238445 2.748477 -0.175991
H 0.784792 -0.907257 -0.157902
H 1.802670 -0.239299 -1.447818
H 3.349214 1.794184 0.368083
H 2.682846 2.224164 -1.219117
H 3.796226 -0.316235 0.049433
H 2.778525 -0.680317 1.459487
H -2.331375 2.190548 -1.950481
H -3.482296 1.273244 -0.926621
H -2.606048 2.679178 -0.237573
H 1.443176 4.171305 -0.198173
H 3.145321 4.230391 0.316218
H 1.895135 3.628697 1.442285
H 3.100627 -2.509946 -1.015089
H 2.124220 -2.885085 0.418980
H -2.217747 -1.015316 2.225976
H -1.843857 -2.274099 -1.667673
H 4.223179 -2.834673 1.865308
H 4.368329 -4.039436 0.553484
H 5.204035 -2.465678 0.419336


