%chk=000171204.chk
%nprocshared=4
%mem=7500MB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000171204

0 1
 O  -0.4875000       1.017900       1.829500    
 O   -2.666700      -2.157200       1.719000    
 O  -0.9636000      -2.169700      0.2039000    
 N   -1.397800      0.4880000     -0.2313000    
 N   0.1687000       3.409800      0.4197000    
 N    5.419300      -1.874600     -0.2194000    
 C   -2.506400     -0.3097000      0.2764000    
 C   -3.454300     -0.4542000     -0.9084000    
 C   -1.462900      0.6155000      -1.685000    
 C   -2.524300     -0.3848000      -2.117300    
 C  -0.5130000       1.150900      0.6049000    
 C   0.4642000       2.071200     -8.1900001E-02
 C    1.913800       1.680500      0.2233000    
 C   -1.941400      -1.631500      0.7016000    
 C    2.239800      0.2601000     -0.2558000    
 C    3.690900     -0.1536000      1.1900000E-02
 C    4.021200      -1.558500     -0.4912000    
 H   -2.960400      0.1965000       1.135000    
 H   -4.146400      0.3963000     -0.9354000    
 H   -4.043000      -1.376200     -0.8918000    
 H  -0.4934000      0.3983000      -2.141800    
 H   -1.765000       1.640500      -1.926000    
 H   -2.068300      -1.366200      -2.294200    
 H   -3.038800     -8.1500001E-02  -3.033300    
 H   0.3485000       2.107200      -1.164500    
 H    2.107800       1.740500       1.302500    
 H    2.595500       2.392000     -0.2600000    
 H    2.041700      0.1901000      -1.332600    
 H    1.579500     -0.4634000      0.2365000    
 H    3.884600     -9.5700003E-02   1.090700    
 H    4.359000      0.5732000     -0.4684000    
 H   0.2925000       3.445300       1.430700    
 H  -0.8046000       3.647700      0.2330000    
 H    3.382000      -2.295300      6.8000001E-03
 H    3.835100      -1.627600      -1.568400    
 H   -2.313100      -3.024400       2.011000    
 H    6.021900      -1.210400     -0.7038000    
 H    5.638700      -2.792400     -0.6044000    


%chk=000171204-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000171204

0 1
O -0.814676 1.230424 1.862806
O -2.666500 -2.108617 1.834024
O -0.688211 -2.020368 0.617771
N -1.430748 0.619875 -0.276352
N 0.349846 3.632078 0.688208
N 5.159184 -2.041941 -0.394586
C -2.455681 -0.297133 0.262162
C -3.281994 -0.687867 -0.996854
C -1.330009 0.557215 -1.761943
C -2.231787 -0.646533 -2.135554
C -0.642293 1.340226 0.602655
C 0.439407 2.300676 0.044996
C 1.844742 1.700139 0.315299
C -1.801592 -1.530167 0.901061
C 2.114352 0.346976 -0.378368
C 3.518358 -0.207687 -0.048611
C 3.806160 -1.556685 -0.737361
H -3.058472 0.196863 1.040741
H -4.066179 0.073698 -1.157878
H -3.773458 -1.668415 -0.889133
H -0.286715 0.402668 -2.082983
H -1.703341 1.496580 -2.216516
H -1.633338 -1.574184 -2.132795
H -2.687582 -0.529360 -3.132658
H 0.312125 2.444866 -1.044206
H 1.958407 1.580209 1.411877
H 2.584190 2.456297 -0.010393
H 2.023459 0.471114 -1.479856
H 1.353217 -0.398849 -0.072964
H 3.625762 -0.346816 1.044248
H 4.289470 0.533068 -0.352582
H 0.391842 3.536290 1.713020
H -0.497164 4.149580 0.418474
H 3.071996 -2.303234 -0.377766
H 3.632139 -1.439069 -1.837479
H -2.232663 -2.908353 2.238123
H 5.909787 -1.402472 -0.676000
H 5.351759 -3.006492 -0.681129


