%chk=000273049.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000273049

0 1
S 0.732139 -1.239321 -0.932434
O 1.423153 -1.271130 -2.199559
O -0.512111 -1.980132 -0.765940
O -2.688056 0.989092 2.769198
N 1.724255 -1.941245 0.288739
C 0.542023 0.393706 -0.431594
C -0.274174 0.796285 0.635735
C -1.089413 -0.164211 1.449481
C 1.269937 1.361628 -1.151021
C -0.319940 2.161308 0.989925
C -2.488692 0.372568 1.742628
C 1.206699 2.707096 -0.808432
C 0.409827 3.105550 0.276282
C 3.111150 -1.694664 0.478691
C -3.565382 0.124812 0.747052
C 3.888127 -1.058800 -0.507837
C 3.700014 -2.090467 1.700146
C -3.425951 -0.779179 -0.315452
C -4.772462 0.831812 0.904147
C 5.235679 -0.799296 -0.252681
C 5.049212 -1.823985 1.928564
C -4.478715 -0.967111 -1.215481
C -5.819904 0.643809 0.002337
C 5.821179 -1.171788 0.960990
C -5.672614 -0.256591 -1.059669
H -1.183239 -1.177493 0.982784
H -0.569277 -0.341816 2.421236
H 1.893380 1.050672 -2.000606
H -0.933013 2.475894 1.840546
H 1.325209 -2.681999 0.880612
H 1.771750 3.447016 -1.372886
H 0.363989 4.159259 0.559012
H 3.470239 -0.807368 -1.484994
H 3.110503 -2.595027 2.460065
H -2.494885 -1.350472 -0.450202
H -4.878578 1.526012 1.742713
H 5.838162 -0.306778 -1.016614
H 5.504535 -2.126646 2.871708
H -4.363523 -1.671571 -2.038903
H -6.750979 1.194100 0.125969
H 6.870877 -0.963636 1.148856
H -6.490831 -0.404792 -1.764211


%chk=000273049-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000273049

0 1
S 0.819203 -1.324559 -1.266922
O 1.674887 -1.291328 -2.649522
O -0.576704 -2.172065 -1.213678
O -2.397475 0.848719 2.904815
N 1.722160 -2.064767 0.110546
C 0.584810 0.482436 -0.712136
C -0.184673 0.807543 0.428335
C -0.873482 -0.207087 1.343039
C 1.215278 1.421568 -1.546858
C -0.266115 2.195658 0.729740
C -2.271094 0.276183 1.779581
C 1.099420 2.788959 -1.220881
C 0.362128 3.168109 -0.076041
C 3.049549 -1.745615 0.510091
C -3.441816 0.095184 0.864364
C 3.929410 -0.970353 -0.289253
C 3.481895 -2.223320 1.778224
C -3.353236 -0.606929 -0.369942
C -4.689557 0.654344 1.262431
C 5.219117 -0.661341 0.195425
C 4.782905 -1.927645 2.233912
C -4.496685 -0.737837 -1.188085
C -5.825308 0.521423 0.443064
C 5.656944 -1.136221 1.451972
C -5.730758 -0.175560 -0.787709
H -0.932588 -1.195653 0.860721
H -0.277218 -0.307176 2.268109
H 1.770605 1.080391 -2.426595
H -0.835637 2.501032 1.614232
H 1.303224 -2.970922 0.348972
H 1.579902 3.542444 -1.852624
H 0.272516 4.226841 0.189517
H 3.627546 -0.650063 -1.290898
H 2.797347 -2.809714 2.402123
H -2.413125 -1.065905 -0.697492
H -4.735615 1.185547 2.219024
H 5.891718 -0.061638 -0.427877
H 5.107264 -2.306044 3.209706
H -4.423053 -1.282869 -2.135186
H -6.781620 0.954918 0.755501
H 6.662676 -0.900397 1.814533
H -6.614447 -0.281188 -1.427373


