%chk=000117463.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000117463

0 1
 O    2.028200      0.5925000     -0.1986000    
 O  -0.4365000       1.906000      -2.230300    
 O    2.980100       2.172600       1.169500    
 N    4.273000      0.7704000     -0.1514000    
 C  -0.4056000      0.1737000     -0.4522000    
 C   -1.834200      0.6113000     -3.1300001E-02
 C  -0.1099000      -1.313000     -0.1181000    
 C   0.7342000       1.000300      0.2314000    
 C  -0.2860000      0.5139000      -1.975200    
 C   -2.892100     -4.8599999E-02 -0.5881000    
 C  -0.1796000      -1.697600       1.190300    
 C   -1.948500       1.630100      0.8707000    
 C   0.2029000      -2.148100      -1.152200    
 C   -4.175900      0.3445000     -0.2101000    
 C   8.6199999E-02  -3.033500       1.490700    
 C   -3.232300       2.023200       1.248700    
 C   0.4687000      -3.484100     -0.8518000    
 C   -4.346100       1.380300      0.7084000    
 C   0.4104000      -3.926800      0.4696000    
 C    3.088000       1.265200      0.3512000    
 C    5.575100       1.267600      0.2289000    
 H   0.6993000      0.8832000       1.322900    
 H   0.6314000       2.072900      2.4200000E-02
 H   -1.041000     -2.0999999E-03  -2.578800    
 H   0.6907000      0.2303000      -2.386100    
 H   -2.776500     -0.8615000      -1.296600    
 H  -0.4384000      -1.017700       1.994500    
 H   -1.121800       2.160500       1.323700    
 H   0.2523000      -1.861800      -2.194000    
 H   -5.043200     -0.1575000     -0.6292000    
 H   3.8800001E-02  -3.378800       2.519400    
 H   -3.365800       2.829100       1.964600    
 H   0.7188000      -4.181000      -1.646500    
 H   0.4236000       2.331900      -2.077600    
 H   -5.345800       1.685800       1.003300    
 H   0.6162000      -4.967200      0.7034000    
 H    4.227900      1.3200000E-02 -0.8264000    
 H    5.494500       2.081600      0.9530000    
 H    6.081700       1.620900     -0.6724000    
 H    6.142700      0.4404000      0.6619000    


%chk=000117463-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000117463

0 1
O 2.024700 0.819740 -0.379494
O -0.322709 2.035771 -2.311361
O 3.090046 1.899341 1.432078
N 4.294016 0.812391 -0.276100
C -0.351566 0.285312 -0.493170
C -1.773226 0.661200 -0.002066
C -0.083235 -1.215026 -0.202254
C 0.714179 1.135926 0.238961
C -0.256767 0.598671 -2.027829
C -2.858801 -0.177400 -0.373512
C -0.214901 -1.677457 1.135177
C -2.059478 1.817348 0.765806
C 0.284230 -2.156384 -1.196052
C -4.182573 0.129222 0.000284
C 0.027567 -3.023933 1.473205
C -3.386175 2.125071 1.149543
C 0.519875 -3.512031 -0.863297
C -4.454590 1.286293 0.767669
C 0.399313 -3.952227 0.471884
C 3.153811 1.238685 0.364041
C 5.631828 1.096908 0.248754
H 0.756297 0.914209 1.318222
H 0.529021 2.216239 0.110840
H -1.121698 0.160951 -2.552181
H 0.679599 0.176938 -2.437115
H -2.660778 -1.088911 -0.950501
H -0.531483 -0.976769 1.917404
H -1.262502 2.500623 1.074888
H 0.388439 -1.854369 -2.242727
H -5.000475 -0.534807 -0.301748
H -0.079669 -3.351437 2.513453
H -3.580904 3.025363 1.743461
H 0.798340 -4.221385 -1.651263
H 0.576851 2.424636 -2.170803
H -5.481898 1.527241 1.062929
H 0.584634 -5.001081 0.729163
H 4.176167 0.241679 -1.113302
H 5.515261 1.708166 1.157616
H 6.238607 1.661062 -0.483368
H 6.166148 0.166333 0.516166


