%chk=000245304.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000245304

0 1
O 3.076779 0.587897 -0.216373
O 1.662756 -3.120039 -0.004827
O 3.367247 -1.792721 -0.113033
O -5.662124 1.148642 0.129066
O -5.134030 -0.950737 0.194145
N 2.172084 -2.010226 -0.064268
N -4.852774 0.236596 0.133114
C 1.739711 0.473125 -0.153119
C 1.255145 -0.862085 -0.075901
C -1.036721 -0.029154 -0.014972
C -0.127577 -1.094575 -0.008584
C 0.821840 1.550438 -0.158589
C -0.536226 1.295973 -0.090728
C 3.689984 1.932567 -0.297145
C -2.464661 -0.315930 0.056487
C 5.161496 1.597847 -0.383020
C -3.436284 0.614630 0.058239
H -0.478348 -2.136692 0.049510
H 1.178359 2.576505 -0.215838
H -1.241076 2.133987 -0.095467
H 3.302315 2.435516 -1.198341
H 3.420535 2.483279 0.619594
H -2.740192 -1.385432 0.112461
H 5.784835 2.497869 -0.321721
H 5.464639 0.917974 0.430571
H 5.407192 1.073195 -1.318592
H -3.277204 1.694552 0.006531


%chk=000245304-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000245304

0 1
O 3.156183 0.546622 -0.213507
O 1.560075 -3.211998 -0.487184
O 3.259453 -2.051715 0.497613
O -5.772855 1.166076 0.144094
O -5.175817 -1.047115 0.147898
N 2.082835 -2.123897 -0.017330
N -4.889460 0.215325 0.125206
C 1.792108 0.410726 -0.111797
C 1.235239 -0.906662 -0.048343
C -1.056553 -0.008733 -0.003410
C -0.155715 -1.104213 -0.013614
C 0.882199 1.509999 -0.107938
C -0.501034 1.305382 -0.047351
C 3.746084 1.911413 -0.333509
C -2.490467 -0.283944 0.049147
C 5.252977 1.714364 -0.445939
C -3.494219 0.639154 0.073372
H -0.525302 -2.134550 0.004648
H 1.267681 2.531380 -0.155736
H -1.160567 2.179428 -0.041208
H 3.326688 2.405642 -1.232145
H 3.475766 2.495299 0.568146
H -2.802998 -1.337123 0.071078
H 5.752760 2.696939 -0.521844
H 5.643438 1.187925 0.440393
H 5.505579 1.121925 -1.340830
H -3.396379 1.725353 0.059292


