%chk=000259583.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000259583

0 1
O -1.523542 1.734585 1.189326
O -2.072185 1.677352 -0.979521
O 1.932498 -0.391437 -1.223463
N 0.696459 0.266563 0.575458
N 4.367945 0.477790 -0.215767
C -1.298706 -1.231940 0.676240
C -2.258666 -2.049759 -0.217757
C -0.589744 -0.083055 -0.061183
C -3.433306 -1.207986 -0.721302
C -1.509769 -2.702240 -1.384027
C -1.468428 1.170646 -0.068870
C 1.906153 0.058412 -0.090471
C 3.187053 0.468410 0.679407
C 3.416372 -0.496511 1.842576
H -0.530153 -1.921897 1.084487
H -1.846627 -0.844789 1.557753
H -2.674488 -2.867992 0.427647
H -0.396112 -0.380265 -1.142060
H -3.949252 -0.694474 0.096054
H -3.118885 -0.442230 -1.443834
H -4.175128 -1.832325 -1.232715
H -2.186122 -3.294136 -2.010517
H -1.037475 -1.955847 -2.037712
H -0.715267 -3.369942 -1.033860
H 0.648799 0.608908 1.531948
H 3.059080 1.515318 1.069849
H 4.395166 -0.300580 2.309390
H 3.427089 -1.544675 1.517505
H 2.655942 -0.393231 2.622528
H 4.189131 1.045978 -1.042902
H 4.578874 -0.461020 -0.550297
H -2.079907 2.558070 1.216287


%chk=000259583-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000259583

0 1
O -1.464188 1.872846 0.574447
O -2.028089 1.303738 -1.606546
O 2.214753 -1.072690 -0.750697
N 0.775777 0.375191 0.365079
N 4.387539 0.697616 0.134066
C -1.085554 -1.292334 0.445420
C -2.258750 -2.056127 -0.237253
C -0.427018 -0.109218 -0.340707
C -3.628117 -1.343675 -0.102575
C -1.951471 -2.412725 -1.712654
C -1.376559 1.057781 -0.572484
C 2.026180 -0.160149 0.114835
C 3.195283 0.419564 0.957583
C 3.561423 -0.589609 2.070115
H -0.254087 -2.004173 0.611228
H -1.406089 -0.920488 1.438491
H -2.338535 -3.011806 0.323503
H -0.098471 -0.479662 -1.326147
H -3.847665 -1.093159 0.952712
H -3.669392 -0.414941 -0.697522
H -4.438397 -2.002048 -0.467340
H -2.715718 -3.106079 -2.109142
H -1.959255 -1.511475 -2.353240
H -0.963734 -2.900235 -1.813555
H 0.646157 1.093433 1.081196
H 2.876532 1.371949 1.426523
H 4.397673 -0.186554 2.665186
H 3.877204 -1.548249 1.619735
H 2.703254 -0.789565 2.737155
H 4.244596 1.461779 -0.538105
H 4.702851 -0.151345 -0.354699
H -2.101333 2.618110 0.405588


