%chk=000214873.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000214873

0 1
S 2.197854 -0.251842 1.533645
N -2.622310 -0.918076 0.222917
C -0.312902 0.007519 0.312784
C -0.633083 1.400141 -0.311393
C -1.224000 -1.097733 -0.289222
C 0.051271 2.519266 0.501634
C 1.113060 -0.386479 0.157543
C -0.254842 1.483702 -1.792695
C -0.547204 3.894218 0.213003
C 1.797497 -0.886808 -0.907999
C -2.766150 -1.485598 1.597072
C -3.605345 -1.555611 -0.703434
C 3.192229 -1.158479 -0.630498
C 3.563910 -0.869268 0.643627
H -0.561795 0.084074 1.407728
H -1.745157 1.528565 -0.225758
H -1.224453 -1.003979 -1.397387
H -0.802060 -2.099026 -0.058606
H -0.038393 2.305181 1.584694
H 1.137973 2.530236 0.287670
H -0.705258 0.666178 -2.366026
H 0.830476 1.438959 -1.938738
H -0.603855 2.425014 -2.231579
H -0.063189 4.668911 0.817848
H -1.619732 3.922322 0.437077
H -0.424502 4.174884 -0.839273
H 1.372227 -1.073707 -1.883565
H -2.033836 -1.003032 2.265608
H -2.629017 -2.574402 1.666609
H -3.768264 -1.236062 1.980679
H -3.471689 -2.636733 -0.851897
H -3.547459 -1.056802 -1.684250
H -4.623320 -1.384413 -0.317414
H 3.848230 -1.555513 -1.393521
H 4.527791 -0.974509 1.106917


%chk=000214873-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000214873

0 1
S 2.396046 -0.238692 1.502969
N -2.613411 -0.950575 0.033368
C -0.257215 -0.059384 0.374864
C -0.659484 1.358350 -0.175890
C -1.168836 -1.194070 -0.185607
C 0.074779 2.481883 0.604122
C 1.196211 -0.423617 0.150639
C -0.468136 1.497086 -1.702759
C -0.488538 3.897585 0.347573
C 1.836174 -0.923920 -0.977411
C -3.013897 -1.063999 1.450439
C -3.456283 -1.791163 -0.841943
C 3.251910 -1.157921 -0.811105
C 3.719197 -0.844808 0.454279
H -0.420972 -0.013216 1.471548
H -1.746630 1.440160 0.032651
H -1.008009 -1.283961 -1.275659
H -0.837211 -2.162721 0.269228
H 0.006386 2.264023 1.690961
H 1.154476 2.461156 0.354300
H -1.028271 0.720854 -2.255404
H 0.599518 1.423736 -1.981263
H -0.843582 2.474658 -2.054101
H 0.012969 4.644461 0.990641
H -1.573322 3.938883 0.564038
H -0.342495 4.214060 -0.701148
H 1.308231 -1.124882 -1.913221
H -2.469712 -0.328277 2.067368
H -2.823038 -2.081608 1.878011
H -4.092651 -0.847014 1.546541
H -3.352010 -2.888289 -0.641503
H -3.192093 -1.610489 -1.899242
H -4.519122 -1.521509 -0.705074
H 3.895647 -1.546241 -1.604396
H 4.728078 -0.919439 0.855985


