%chk=000197771.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000197771

0 1
O 0.142973 2.619187 0.833602
O 1.322128 2.390030 -1.050556
N 2.098883 -0.551079 -1.339771
N -1.631742 0.185462 1.425326
C 0.855726 0.398606 0.553453
C 1.336672 -0.995061 -0.159085
C 3.279794 0.240002 0.814156
C 1.959105 0.663467 1.580599
C 3.202777 0.330084 -0.767781
C 2.262614 -1.865650 0.692659
C -0.613309 0.180515 0.469999
C 3.358752 -1.232862 1.141036
C 1.131958 0.026598 -2.343409
C -1.135875 0.003424 -0.826495
C -0.412537 -0.160604 -2.134580
C 0.846671 1.843963 -0.086431
C 1.926645 -3.309741 0.876245
C -2.564929 -0.089612 -0.664738
C -2.851587 0.036570 0.740571
C 2.232762 -4.111263 -0.389476
C -3.636892 -0.270211 -1.561779
C -4.168682 -0.016201 1.242579
C -4.926248 -0.318382 -1.064202
C -0.054175 4.014465 0.487774
C -5.188943 -0.192006 0.326698
H 0.468838 -1.636788 -0.447129
H 4.138144 0.833175 1.170203
H 1.833327 0.070614 2.503335
H 2.014888 1.708339 1.931471
H 3.145221 1.379076 -1.107868
H 4.146188 -0.092114 -1.174807
H 4.183689 -1.644628 1.690334
H 1.380826 -0.520188 -3.285324
H 1.349248 1.095701 -2.556586
H -0.660357 -1.185925 -2.496627
H -0.893898 0.534848 -2.860249
H 2.494113 -3.731583 1.731679
H 0.855490 -3.421949 1.146103
H -1.514162 0.390853 2.397541
H 1.937994 -5.159276 -0.280506
H 3.303325 -4.081985 -0.627824
H 1.708249 -3.698992 -1.261742
H -3.437169 -0.368494 -2.626210
H -4.363498 0.079914 2.305089
H -5.767810 -0.455768 -1.740042
H -0.759803 4.076010 -0.346885
H 0.901497 4.477267 0.221524
H -0.473568 4.431938 1.408263
H -6.222912 -0.235945 0.666265


%chk=000197771-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000197771

0 1
O 0.043269 2.597344 0.897245
O 1.261840 2.462409 -1.046657
N 2.198314 -0.530082 -1.349452
N -1.640613 0.208410 1.434293
C 0.894671 0.392481 0.580516
C 1.446555 -0.973146 -0.173290
C 3.352306 0.250242 0.823719
C 2.024042 0.695252 1.617809
C 3.290809 0.371197 -0.778196
C 2.333378 -1.873253 0.683933
C -0.598082 0.117842 0.515920
C 3.436614 -1.231225 1.144485
C 1.203247 -0.022660 -2.378553
C -1.108027 -0.082283 -0.789076
C -0.337500 -0.354388 -2.103552
C 0.799106 1.864238 -0.051797
C 1.988038 -3.336239 0.843602
C -2.552945 -0.111631 -0.647257
C -2.860776 0.077497 0.752405
C 2.074232 -4.133220 -0.486882
C -3.626720 -0.287949 -1.562031
C -4.183485 0.096870 1.240910
C -4.950347 -0.260747 -1.079641
C -0.223847 4.007693 0.540637
C -5.227700 -0.068992 0.306038
H 0.588185 -1.575253 -0.480503
H 4.220692 0.830535 1.179450
H 1.961118 0.095316 2.541332
H 2.045626 1.759410 1.907596
H 3.148217 1.419030 -1.093164
H 4.274666 0.027642 -1.150290
H 4.243444 -1.684536 1.730065
H 1.419877 -0.530678 -3.339500
H 1.329719 1.058073 -2.540194
H -0.471257 -1.434831 -2.330618
H -0.875692 0.174051 -2.917996
H 2.668075 -3.795199 1.587243
H 0.958719 -3.433492 1.248514
H -1.527803 0.496707 2.403230
H 1.776465 -5.186658 -0.331515
H 3.103373 -4.112225 -0.886108
H 1.413136 -3.699081 -1.258189
H -3.430526 -0.441681 -2.629287
H -4.399634 0.237873 2.306022
H -5.785303 -0.390902 -1.777480
H -0.817048 4.060018 -0.387977
H 0.720688 4.559997 0.397874
H -0.792703 4.406238 1.393004
H -6.268011 -0.052213 0.649765


