%chk=000245382.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000245382

0 1
O 1.819736 -0.742566 -1.192464
O -2.524015 -2.826112 -0.662191
O 3.124228 -1.752421 0.353959
N -1.146950 -1.072562 -0.271012
C 0.002928 -1.994353 -0.100882
C -0.884356 0.367030 -0.031387
C -3.577638 -0.650038 -0.635932
C -2.416261 -1.614883 -0.525233
C 0.966829 -1.924114 -1.288365
C -4.877592 -1.402151 -0.954824
C -1.116155 0.760660 1.427196
C 3.652222 0.508079 -0.455571
C -6.065068 -0.452651 -1.065935
C 4.215489 0.947548 0.902215
C 2.899159 -0.785100 -0.332678
C 5.072401 2.201265 0.769597
H 0.542671 -1.765739 0.846046
H -0.384120 -3.043143 -0.003060
H -1.523646 0.978659 -0.705979
H 0.172061 0.585186 -0.326747
H -3.691732 -0.082531 0.310518
H -3.376237 0.105273 -1.422696
H 1.609431 -2.821310 -1.341388
H 0.458938 -1.748162 -2.254700
H -5.064539 -2.167499 -0.173171
H -4.752054 -1.977922 -1.895091
H -0.908286 1.824542 1.586328
H -0.468178 0.192974 2.106970
H -2.148510 0.572947 1.745286
H 3.005501 1.299392 -0.891416
H 4.476032 0.367557 -1.190492
H -5.923950 0.286041 -1.862817
H -6.237991 0.095651 -0.133171
H -6.985640 -1.004074 -1.293725
H 4.812817 0.119875 1.341764
H 3.384929 1.128127 1.613619
H 5.936173 2.037611 0.114143
H 4.504271 3.044647 0.360438
H 5.462903 2.514565 1.745950


%chk=000245382-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000245382

0 1
O 1.611083 -0.844785 -1.033923
O -2.298831 -2.691874 -1.150272
O 3.208305 -1.558648 0.512390
N -1.187493 -1.130147 0.149627
C -0.084512 -2.099242 0.322814
C -1.057130 0.196033 0.794900
C -3.445671 -0.546683 -0.778544
C -2.282126 -1.536606 -0.610832
C 0.883192 -2.141198 -0.869792
C -4.679419 -1.200199 -1.435034
C -1.467829 0.193197 2.285033
C 3.460900 0.630667 -0.621305
C -5.816395 -0.183217 -1.667403
C 4.437287 1.106626 0.475826
C 2.789650 -0.691866 -0.289868
C 5.179245 2.395690 0.066414
H 0.467748 -1.862298 1.248459
H -0.521306 -3.109764 0.420611
H -1.662085 0.930198 0.237285
H -0.004725 0.517848 0.693006
H -3.726438 -0.115394 0.203019
H -3.106153 0.305274 -1.405220
H 1.622429 -2.949590 -0.726995
H 0.334275 -2.272458 -1.813303
H -5.032818 -2.030886 -0.796143
H -4.373823 -1.665363 -2.389124
H -1.320073 1.195638 2.727669
H -0.861655 -0.526843 2.863722
H -2.530209 -0.084890 2.404898
H 2.680368 1.385593 -0.829008
H 4.009091 0.492615 -1.576187
H -5.490727 0.636072 -2.336814
H -6.151671 0.273934 -0.716462
H -6.693378 -0.668084 -2.133474
H 5.159908 0.298036 0.689297
H 3.878409 1.275649 1.416494
H 5.776041 2.238252 -0.851896
H 4.472345 3.223918 -0.130138
H 5.869992 2.725092 0.863372


