%chk=000105116.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000105116

0 1
 O    2.665900      9.7199999E-02  0.8825000    
 O    2.922300      -1.819600      -1.439900    
 O    5.219200      0.9596000       1.667300    
 N   0.4147000     -0.1150000      0.1493000    
 N  -0.9899000      -1.808500      0.6094000    
 N   -3.398600      0.8580000     -0.1586000    
 N   -1.174300       1.659300     -0.3615000    
 N   -4.058300      -1.202800      0.4114000    
 C    1.680700      0.5994000     -3.5399999E-02
 C    2.251100      0.4858000      -1.446600    
 C    3.399700     -0.4860000      -1.290300    
 C    3.845500     -0.2804000      0.1489000    
 C    4.873500      0.8346000      0.2975000    
 C  -0.8489000      0.3861000     -2.2000000E-03
 C   0.2735000      -1.436600      0.5171000    
 C   -1.673300     -0.6812000      0.2885000    
 C   -3.028100     -0.4214000      0.2028000    
 C   -2.464900       1.872500     -0.4335000    
 C   -4.763600      0.8888000     -0.1804000    
 C   -5.146100     -0.3898000      0.1736000    
 H    1.486000       1.646100      0.2248000    
 H    2.643100       1.464600      -1.748000    
 H    1.509600      0.1732000      -2.188800    
 H    4.192500     -0.3308000      -2.028000    
 H    4.222000      -1.202000      0.6064000    
 H    4.472100       1.801100     -2.2399999E-02
 H    5.781300      0.6236000     -0.2760000    
 H    1.123400      -2.077900      0.7061000    
 H    3.676100      -2.417000      -1.297300    
 H    5.613100      0.1167000       1.950100    
 H   -2.846600       2.867100     -0.7154000    
 H   -5.325300       1.776800     -0.4343000    
 H   -6.153900     -0.7672000      0.2695000    


%chk=000105116-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000105116

0 1
O 2.454197 0.460701 0.599450
O 3.240724 -2.156366 -1.126814
O 4.723268 1.545993 1.818267
N 0.432128 -0.232019 -0.539968
N -1.039205 -1.983955 -0.343665
N -3.356818 0.959098 0.286544
N -1.107880 1.663930 -0.124822
N -4.208305 -1.187415 0.327896
C 1.667140 0.549037 -0.655630
C 2.626159 0.096469 -1.784615
C 3.708244 -0.759376 -1.094875
C 3.777348 -0.180313 0.336602
C 4.852425 0.908378 0.512153
C -0.823133 0.327023 -0.250349
C 0.239623 -1.622098 -0.574987
C -1.717765 -0.772895 -0.138181
C -3.083095 -0.468103 0.147743
C -2.379959 1.947262 0.144533
C -4.730467 1.064194 0.565985
C -5.214650 -0.245542 0.583535
H 1.337922 1.596702 -0.756484
H 3.089829 0.985378 -2.244092
H 2.114425 -0.476690 -2.572588
H 4.685513 -0.680979 -1.612755
H 3.903779 -0.963125 1.107529
H 4.769162 1.656402 -0.308186
H 5.864654 0.467453 0.491856
H 1.067144 -2.299179 -0.774909
H 3.889428 -2.739540 -0.658406
H 3.762142 1.772705 1.934506
H -2.693896 2.986665 0.262603
H -5.218942 2.021972 0.720745
H -6.237641 -0.567465 0.767978


