%chk=000206048.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000206048

0 1
O 4.940661 0.684114 0.836601
O 3.431048 2.174945 0.137334
N -0.177606 -0.660848 -0.166240
C 0.879209 0.144727 -0.651418
C 2.067346 -0.560186 -0.436751
C 0.366975 -1.866102 0.350173
C 1.744602 -1.808014 0.189320
C -1.574206 -0.307381 -0.155162
C 3.434785 -0.111247 -0.799001
C 0.692270 1.465875 -1.280811
C -0.465792 -2.931810 0.944784
C -1.992984 0.828087 0.554387
C -2.494608 -1.110305 -0.847915
C -3.353137 1.170224 0.566856
C -3.846428 -0.759296 -0.824220
C -4.277780 0.370888 -0.126386
C 3.859579 1.046498 0.061879
C -3.809209 2.385693 1.304602
H 2.452637 -2.555695 0.480965
H 3.472475 0.203878 -1.867520
H 4.160154 -0.952732 -0.698624
H 0.941825 1.432800 -2.352207
H -0.329312 1.857827 -1.198655
H 1.369839 2.211241 -0.816025
H 0.114648 -3.529154 1.664418
H -1.337864 -2.534736 1.485606
H -0.841835 -3.624200 0.176414
H -1.265420 1.432719 1.095893
H -2.156924 -1.985623 -1.399172
H -4.570672 -1.373735 -1.359741
H -5.333741 0.632734 -0.120628
H -3.205501 2.579917 2.202357
H -3.732788 3.279547 0.666451
H -4.854655 2.311707 1.632836
H 5.250511 1.413743 1.434300


%chk=000206048-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000206048

0 1
O 4.839744 0.306854 1.003007
O 3.817222 2.178074 0.084649
N -0.151367 -0.636226 -0.160648
C 0.873825 0.162747 -0.717607
C 2.082567 -0.522510 -0.517867
C 0.406406 -1.811790 0.394836
C 1.786327 -1.745812 0.186208
C -1.553472 -0.302588 -0.158326
C 3.457257 -0.048992 -0.951402
C 0.600706 1.468868 -1.408510
C -0.418866 -2.847192 1.106485
C -2.011171 0.816498 0.575689
C -2.470185 -1.099168 -0.885146
C -3.384682 1.166247 0.589507
C -3.842142 -0.768387 -0.863458
C -4.295769 0.354182 -0.134097
C 4.029071 0.944996 0.049687
C -3.863271 2.388584 1.353977
H 2.510032 -2.491173 0.514143
H 3.409694 0.462738 -1.928804
H 4.143608 -0.906823 -1.036371
H 1.502655 1.798289 -1.950203
H -0.232272 1.387850 -2.131972
H 0.346140 2.280195 -0.700342
H 0.252534 -3.585493 1.575693
H -1.044589 -2.402406 1.903828
H -1.100436 -3.397086 0.429846
H -1.287865 1.408320 1.148432
H -2.104067 -1.952214 -1.465479
H -4.557752 -1.382623 -1.421118
H -5.363560 0.603538 -0.125372
H -3.287014 2.536496 2.284380
H -3.744886 3.307019 0.746854
H -4.930890 2.306218 1.622002
H 5.144569 0.978870 1.672197


