%chk=000218526.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000218526

0 1
O 0.608229 -0.873587 -1.239201
N -0.253531 0.197179 0.621614
N 1.729123 -1.137609 0.778749
C -1.536283 0.518236 -0.073684
C -2.664907 -0.444116 0.356563
C -1.920642 1.976913 0.253161
C -2.407139 -1.883973 -0.106111
C -0.951309 2.982294 -0.382853
C -3.603177 -2.789985 0.174270
C -1.365046 4.423727 -0.097148
C 0.688439 -0.617788 -0.045812
C 2.916439 -1.696930 0.077973
C 3.970605 -0.639889 -0.286510
C 4.709235 -0.086873 0.927666
H -1.360152 0.412593 -1.181432
H -3.623302 -0.087714 -0.070456
H -2.804495 -0.418681 1.452770
H -1.961142 2.133566 1.347233
H -2.947894 2.170467 -0.113482
H -2.168246 -1.895492 -1.189912
H -1.504764 -2.289165 0.393419
H 0.075411 2.801287 -0.005942
H -0.899308 2.814926 -1.477131
H -0.307784 0.174209 1.636410
H -3.846061 -2.823384 1.241889
H -3.399827 -3.818088 -0.147898
H -4.500078 -2.453646 -0.357838
H -0.664533 5.132046 -0.554292
H -2.360959 4.646326 -0.496428
H -1.387565 4.633488 0.977913
H 1.968036 -0.618799 1.624078
H 3.348888 -2.476562 0.743329
H 2.568090 -2.214271 -0.849831
H 3.491176 0.186002 -0.851483
H 4.697257 -1.091298 -0.992240
H 4.041771 0.464321 1.598342
H 5.501960 0.607235 0.622063
H 5.183186 -0.883964 1.512244


%chk=000218526-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000218526

0 1
O 0.705755 -0.697335 -1.467003
N -0.366315 -0.088995 0.529251
N 1.807503 -0.992190 0.577882
C -1.611045 0.376437 -0.115518
C -2.821591 -0.498264 0.306951
C -1.860472 1.879453 0.179980
C -2.691763 -1.983353 -0.096430
C -0.764152 2.814356 -0.375521
C -3.897120 -2.831958 0.361583
C -1.007840 4.296916 -0.021512
C 0.713271 -0.595195 -0.198708
C 3.037010 -1.500290 -0.049764
C 4.119716 -0.416856 -0.277950
C 4.644079 0.216796 1.028460
H -1.432205 0.244590 -1.199711
H -3.736168 -0.071598 -0.153614
H -2.965229 -0.420556 1.407293
H -1.955671 2.026717 1.278350
H -2.840696 2.162797 -0.254971
H -2.580511 -2.051431 -1.196771
H -1.757564 -2.397289 0.330425
H 0.220220 2.491512 0.016066
H -0.710205 2.694782 -1.475816
H -0.328615 -0.061383 1.550340
H -4.008063 -2.806089 1.462682
H -3.783097 -3.889227 0.059259
H -4.840793 -2.455835 -0.077645
H -0.212815 4.945496 -0.433234
H -1.974940 4.651359 -0.426416
H -1.030917 4.446025 1.075166
H 1.803553 -0.837444 1.586299
H 3.445939 -2.314247 0.581337
H 2.739536 -1.932562 -1.020635
H 3.699035 0.363709 -0.939530
H 4.960801 -0.884274 -0.828573
H 3.833382 0.734789 1.575144
H 5.431772 0.963997 0.822628
H 5.075917 -0.550362 1.700231


