%chk=000245289.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000245289

0 1
O -2.208081 -1.566712 -0.966787
O -2.181170 1.881941 -0.024888
O -2.632674 -1.471734 1.263895
O -1.030618 1.714985 1.928237
N 0.264495 -0.639101 0.954924
C -0.879571 -0.062463 0.233291
C 1.584435 -0.377374 0.474460
C 1.839899 -0.145368 -0.889373
C 3.160668 -0.006590 -1.333558
C -2.006844 -1.105389 0.303478
C -1.344561 1.261513 0.857773
C 2.649221 -0.459127 1.396136
C 4.222877 -0.094132 -0.418035
C 3.958047 -0.321923 0.934036
C 3.449195 0.231825 -2.780586
C -3.198388 -2.632010 -1.165566
C -2.749225 3.182038 0.354784
C -2.630314 -3.952685 -0.695754
C -1.699308 4.262027 0.219086
H -0.626425 0.119919 -0.858879
H 0.152585 -0.570656 1.976691
H 1.017962 -0.093492 -1.600699
H 2.459614 -0.632774 2.451607
H 5.247620 0.013897 -0.760884
H 4.785148 -0.389570 1.641866
H 4.021674 -0.603615 -3.210285
H 2.540958 0.343683 -3.386264
H 4.048261 1.142412 -2.924357
H -3.335467 -2.576242 -2.261190
H -4.124595 -2.349039 -0.635260
H -3.150076 3.098117 1.380484
H -3.566616 3.265454 -0.385294
H -2.522501 -3.975303 0.399936
H -1.632534 -4.136357 -1.117400
H -3.274210 -4.793016 -0.980465
H -1.217118 4.239363 -0.766856
H -0.903988 4.144002 0.971737
H -2.131677 5.260896 0.355554


%chk=000245289-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000245289

0 1
O -1.632051 -0.813587 -1.219482
O -2.601757 2.121213 0.322952
O -1.921584 -1.211928 1.066810
O -1.176429 2.295269 2.164945
N 0.598036 0.558961 1.051047
C -0.617221 0.772463 0.297981
C 1.756761 -0.045190 0.546065
C 1.820851 -0.575566 -0.775783
C 3.011758 -1.157982 -1.271058
C -1.467246 -0.522997 0.130484
C -1.469010 1.813239 1.048578
C 2.912071 -0.123079 1.375533
C 4.155366 -1.222053 -0.434322
C 4.093245 -0.707520 0.880957
C 3.059447 -1.724712 -2.681671
C -2.400147 -2.059771 -1.548555
C -3.550798 3.109639 0.938946
C -1.471658 -3.276735 -1.554598
C -3.113165 4.542610 0.629514
H -0.414739 1.159114 -0.720142
H 0.583406 0.898750 2.015303
H 0.937423 -0.548205 -1.423032
H 2.876952 0.278002 2.395908
H 5.081814 -1.673661 -0.807862
H 4.976155 -0.759083 1.528810
H 3.240849 -2.816397 -2.667058
H 2.114868 -1.546879 -3.224857
H 3.877782 -1.268438 -3.269622
H -2.819139 -1.846386 -2.544580
H -3.210456 -2.173023 -0.807197
H -3.589012 2.920139 2.025756
H -4.515009 2.855645 0.472013
H -1.066687 -3.467167 -0.546932
H -0.630375 -3.129944 -2.253859
H -2.036403 -4.171602 -1.875767
H -3.018234 4.700568 -0.458423
H -2.149282 4.773387 1.112677
H -3.869683 5.250307 1.016118


