%chk=000230872.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000230872

0 1
O 5.470714 -1.554373 1.161344
O -5.470624 -1.554630 -1.160915
N 7.226316 -0.191888 0.364737
N -7.226303 -0.192050 -0.364579
N 4.980470 0.342049 -0.106867
N -4.980486 0.342065 0.106907
C 8.062136 -0.851388 -0.688264
C 8.277228 -1.172694 0.774107
C -8.062204 -0.851732 0.688248
C -8.277159 -1.172826 -0.774187
C 5.824084 -0.581283 0.522139
C -5.824049 -0.581442 -0.521888
C 3.547301 0.329463 -0.049171
C -3.547321 0.329479 0.049249
C 0.738937 0.326622 -0.008707
C -0.738961 0.326624 0.008791
C 2.834760 1.412220 -0.632075
C -2.834780 1.412312 0.632018
C 1.437293 1.390641 -0.600582
C -1.437314 1.390724 0.600528
C 2.848618 -0.732550 0.547510
C -2.848644 -0.732612 -0.547289
C 1.454467 -0.733272 0.564197
C -1.454493 -0.733342 -0.563975
C 3.536311 2.565967 -1.275030
C -3.536327 2.566143 1.274828
H 8.746932 -0.181896 -1.219510
H 7.628172 -1.598907 -1.356853
H 7.982635 -2.150105 1.175253
H 9.120162 -0.743402 1.325216
H -8.747060 -0.182333 1.219534
H -7.628279 -1.599341 1.356764
H -7.982499 -2.150173 -1.175444
H -9.120052 -0.743474 -1.325310
H 5.414218 1.159636 -0.547972
H -5.414269 1.159715 0.547866
H 0.875754 2.210421 -1.049630
H -0.875771 2.210559 1.049471
H 3.394480 -1.565227 1.008266
H -3.394517 -1.565344 -1.007933
H 0.921889 -1.561330 1.032492
H -0.921919 -1.561464 -1.032161
H 2.831244 3.323624 -1.646956
H 4.131033 2.246752 -2.142749
H 4.200645 3.084042 -0.568424
H -4.200627 3.084158 0.568144
H -2.831256 3.323824 1.646697
H -4.131086 2.247035 2.142563


%chk=000230872-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000230872

0 1
O 5.618081 -1.918322 0.929958
O -5.617849 -1.918417 -0.929712
N 7.270854 -0.261603 0.437008
N -7.270832 -0.261800 -0.437029
N 5.020883 0.266369 0.231344
N -5.020913 0.266370 -0.231267
C 8.025818 -0.387401 -0.874395
C 8.371302 -1.260354 0.325746
C -8.025906 -0.387599 0.874314
C -8.371209 -1.260637 -0.325817
C 5.915546 -0.751054 0.546150
C -5.915471 -0.751154 -0.546010
C 3.601181 0.218085 0.179658
C -3.601220 0.218130 -0.179544
C 0.743149 0.213935 0.037090
C -0.743198 0.213945 -0.036973
C 2.908025 1.412385 -0.195830
C -2.908051 1.412466 0.195814
C 1.499518 1.381221 -0.258183
C -1.499544 1.381281 0.258170
C 2.868935 -0.959335 0.482114
C -2.869003 -0.959336 -0.481868
C 1.464530 -0.952342 0.407845
C -1.464599 -0.952361 -0.407600
C 3.665761 2.685958 -0.535422
C -3.665757 2.686096 0.535260
H 8.657776 0.467182 -1.135066
H 7.507491 -0.868745 -1.712907
H 8.070431 -2.313864 0.298136
H 9.259432 -1.034776 0.922986
H -8.657958 0.466945 1.134886
H -7.507614 -0.868859 1.712895
H -8.070250 -2.314119 -0.298131
H -9.259302 -1.035160 -0.923151
H 5.462543 1.170357 0.051633
H -5.462630 1.170355 -0.051677
H 0.976579 2.289680 -0.580217
H -0.976588 2.289766 0.580100
H 3.410006 -1.857035 0.787673
H -3.410098 -1.857060 -0.787327
H 0.919756 -1.863740 0.677265
H -0.919842 -1.863799 -0.676918
H 2.966500 3.491059 -0.814323
H 4.356950 2.546430 -1.391166
H 4.262641 3.058951 0.321594
H -4.262631 3.059004 -0.321798
H -2.966477 3.491214 0.814065
H -4.356945 2.546686 1.391024


