%chk=000198974.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000198974

0 1
O -1.874293 2.450679 -1.150092
N -4.479839 -1.323272 -0.050460
N -0.802281 0.903184 -2.383936
C -1.075685 0.479308 0.075379
C -1.395371 1.311469 1.368840
C -2.104640 -0.670453 -0.092872
C 0.347856 -0.056488 0.140392
C -3.547640 -0.173276 -0.294845
C -1.274709 1.387246 -1.162308
C -0.484255 2.531371 1.524833
C -1.334812 0.443511 2.629070
C 1.414677 0.706874 -0.285170
C 0.599772 -1.358225 0.680846
C 2.753381 0.211619 -0.217520
C 1.874776 -1.857010 0.757891
C 2.990047 -1.085967 0.303771
C -4.582319 -2.195892 -1.258558
C -5.833284 -0.824994 0.339352
C 3.865375 0.995686 -0.665250
C 4.330527 -1.583038 0.366303
C 5.140877 0.495261 -0.593197
C 5.377140 -0.811219 -0.071700
H -2.449317 1.684567 1.243565
H -2.079562 -1.322808 0.809293
H -1.807797 -1.319991 -0.937527
H -3.668323 0.286103 -1.299012
H -3.763312 0.638259 0.440048
H 0.565406 2.253457 1.664681
H -0.554182 3.196350 0.652907
H -0.778793 3.126063 2.397202
H -0.321610 0.070845 2.819423
H -2.004250 -0.422834 2.560074
H -1.638146 1.018094 3.511622
H 1.266573 1.715184 -0.674630
H -0.240500 -1.951541 1.046054
H 2.059070 -2.848564 1.170659
H -0.221507 0.087395 -2.463508
H -0.897749 1.470699 -3.211820
H -4.995968 -1.704241 -2.151230
H -5.215341 -3.064926 -1.018087
H -3.582841 -2.583447 -1.509969
H -6.326234 -0.186644 -0.408192
H -5.747847 -0.257130 1.279956
H -6.488215 -1.687095 0.543183
H 3.676572 1.992951 -1.059713
H 4.499814 -2.580870 0.767957
H 5.992355 1.084589 -0.930501
H 6.400802 -1.179340 -0.028105


%chk=000198974-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000198974

0 1
O -2.032570 2.472999 -1.114940
N -4.563558 -1.337248 -0.063325
N -0.854284 0.919043 -2.347996
C -1.092879 0.511146 0.109682
C -1.351747 1.391732 1.405861
C -2.155620 -0.646710 -0.008046
C 0.340538 -0.072782 0.117695
C -3.621063 -0.192129 -0.175058
C -1.342724 1.409632 -1.148560
C -0.341504 2.550581 1.579232
C -1.413146 0.550099 2.702593
C 1.437734 0.695922 -0.307361
C 0.610617 -1.393498 0.623318
C 2.782635 0.207771 -0.253797
C 1.909085 -1.901593 0.687263
C 3.031274 -1.125363 0.253205
C -4.481167 -2.271144 -1.205894
C -5.952185 -0.878298 0.154801
C 3.896533 1.002329 -0.689181
C 4.378227 -1.615529 0.303705
C 5.198330 0.500731 -0.627574
C 5.441852 -0.819902 -0.127834
H -2.337961 1.866695 1.240623
H -2.124536 -1.278446 0.896041
H -1.864655 -1.289579 -0.860858
H -3.752960 0.354940 -1.141478
H -3.877444 0.520934 0.629120
H 0.674212 2.180553 1.808046
H -0.299912 3.186981 0.678816
H -0.662191 3.191162 2.421849
H -0.469989 -0.003182 2.869291
H -2.245572 -0.176358 2.701462
H -1.563021 1.219340 3.569870
H 1.276312 1.708943 -0.694199
H -0.216499 -2.021104 0.966117
H 2.081597 -2.912263 1.076762
H -0.222674 0.120026 -2.381620
H -1.057194 1.439597 -3.201230
H -4.721164 -1.785032 -2.187015
H -5.193552 -3.101524 -1.052656
H -3.470556 -2.707594 -1.278274
H -6.366482 -0.287233 -0.701631
H -5.996953 -0.245262 1.058816
H -6.610476 -1.751289 0.315373
H 3.709961 2.014116 -1.069121
H 4.561576 -2.626071 0.688430
H 6.041792 1.115728 -0.960146
H 6.468362 -1.200371 -0.085077


