%chk=000225627.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000225627

0 1
O 0.309048 1.938480 0.539988
O 1.336715 3.607911 -0.595345
O -4.276053 0.283019 -0.462218
N -3.546235 -1.841180 0.072309
C 0.663895 0.972424 -0.493607
C -0.194470 -0.253907 -0.213686
C 2.079960 0.454860 -0.308616
C 0.647084 -1.375692 0.062180
C 2.050530 -0.938546 0.007329
C -1.568044 -0.359657 -0.219028
C 0.085738 -2.614928 0.326175
C 3.276745 1.133458 -0.429165
C 3.230425 -1.638635 0.202150
C -2.131396 -1.631600 0.054935
C -1.312340 -2.744216 0.321261
C 4.473698 0.416800 -0.226726
C 4.448945 -0.941381 0.082645
C 0.702351 3.249214 0.368612
C -4.541974 -0.867839 -0.186709
C 0.211250 4.042493 1.527734
C -5.943484 -1.403308 -0.087128
H 0.490831 1.432463 -1.489848
H -2.206152 0.509056 -0.417807
H 0.711811 -3.480237 0.536303
H 3.294568 2.197225 -0.676915
H 3.224148 -2.698096 0.441685
H -1.749177 -3.718047 0.528478
H 5.425515 0.937701 -0.316474
H 5.383813 -1.479448 0.234859
H -3.845798 -2.792542 0.295869
H -0.341318 3.424073 2.255160
H -0.462487 4.846761 1.191626
H 1.050404 4.517957 2.059248
H -6.143370 -2.202953 -0.812561
H -6.664942 -0.594851 -0.299627
H -6.181133 -1.783033 0.915316


%chk=000225627-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000225627

0 1
O 0.360696 1.977735 0.680564
O 1.148257 3.679403 -0.711406
O -4.381714 0.354844 -0.361330
N -3.566474 -1.811977 0.040096
C 0.711603 0.967731 -0.379858
C -0.158920 -0.263278 -0.175003
C 2.128841 0.423093 -0.234682
C 0.665894 -1.404839 0.042830
C 2.081618 -0.982448 0.010044
C -1.556312 -0.339339 -0.185188
C 0.067500 -2.665512 0.243799
C 3.353796 1.100411 -0.337016
C 3.274490 -1.718791 0.162571
C -2.156117 -1.614850 0.026085
C -1.339224 -2.762777 0.234693
C 4.553547 0.359266 -0.175300
C 4.511424 -1.034831 0.072249
C 0.616280 3.316694 0.364257
C -4.588603 -0.874235 -0.143876
C 0.164654 4.228836 1.483687
C -5.993232 -1.474197 -0.058125
H 0.561873 1.467565 -1.356486
H -2.188765 0.535924 -0.340760
H 0.674115 -3.562630 0.406304
H 3.380709 2.175245 -0.543035
H 3.253280 -2.799007 0.345028
H -1.814128 -3.740227 0.391982
H 5.520963 0.868070 -0.248986
H 5.448409 -1.590766 0.190703
H -3.868934 -2.775020 0.206702
H -0.268591 3.655670 2.315303
H -0.582734 4.940973 1.092903
H 1.024720 4.819634 1.843622
H -6.147746 -2.250722 -0.830337
H -6.725767 -0.669978 -0.215541
H -6.176311 -1.931871 0.931907


