%chk=000272453.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000272453

0 1
O -3.041349 -0.502180 -1.796263
O -0.741633 -3.434146 0.393502
O -1.939351 -3.182687 -1.519756
O 2.064252 2.299518 -2.359608
O 0.097012 1.412492 -2.369354
O 5.078435 -0.553185 2.181508
O 5.476962 0.965982 0.692110
N -0.541933 -0.451327 -0.674790
N 1.241013 1.514720 -1.925767
N 4.751211 0.153757 1.240912
C -1.570063 -1.266526 -0.008616
C -2.989641 -0.707091 -0.383945
C -3.220517 0.636715 0.265282
C 0.731225 -0.291677 -0.206525
C -1.461087 -2.713746 -0.516553
C 1.628362 0.651818 -0.818034
C -3.671242 0.687368 1.592950
C -2.987565 1.819956 -0.446780
C 1.224848 -1.075096 0.892364
C 2.945083 0.785294 -0.333326
C 2.507351 -0.928320 1.350983
C 3.382273 0.012499 0.735445
C -3.878978 1.925219 2.205449
C -3.200774 3.055567 0.172274
C -3.643063 3.109469 1.497035
C -0.485798 -4.836118 0.085002
H -1.448851 -1.250484 1.111278
H -3.769281 -1.449098 -0.090424
H -0.885898 0.096611 -1.507284
H -3.866855 -0.227892 2.147550
H -2.652521 1.772686 -1.487933
H 0.570118 -1.823012 1.349728
H -3.016867 -1.378515 -2.271098
H 3.627543 1.514200 -0.810043
H 2.888043 -1.527407 2.189795
H -4.228627 1.969227 3.236088
H -3.021244 3.976362 -0.383064
H -3.807248 4.072991 1.978322
H 0.332859 -4.883299 -0.640331
H -1.389398 -5.312755 -0.310523
H -0.196304 -5.246990 1.058639


%chk=000272453-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000272453

0 1
O -3.082422 -0.581451 -1.849149
O -0.801126 -3.590395 0.333329
O -2.044438 -3.204447 -1.594763
O 2.077283 2.310718 -2.423935
O 0.077229 1.229829 -2.520124
O 5.037688 -0.302579 2.433345
O 5.439038 1.250963 0.805105
N -0.551876 -0.517693 -0.663022
N 1.247713 1.437710 -1.968014
N 4.683829 0.381817 1.391959
C -1.591157 -1.331677 -0.026986
C -2.992915 -0.722932 -0.399796
C -3.185755 0.642347 0.247445
C 0.714155 -0.311323 -0.185165
C -1.519677 -2.787363 -0.531386
C 1.621759 0.643020 -0.793687
C -3.491348 0.720111 1.628979
C -3.032922 1.832824 -0.501791
C 1.212721 -1.031934 0.957016
C 2.913603 0.868069 -0.275038
C 2.487189 -0.807632 1.469158
C 3.335642 0.149616 0.849541
C -3.632869 1.975431 2.260099
C -3.177014 3.088501 0.130643
C -3.471904 3.164770 1.511070
C -0.628120 -5.015532 -0.075218
H -1.470421 -1.328930 1.069360
H -3.761287 -1.431961 -0.023004
H -0.817437 0.001210 -1.521238
H -3.635859 -0.198201 2.214208
H -2.824345 1.766514 -1.573342
H 0.585055 -1.801414 1.411208
H -2.991408 -1.492212 -2.247133
H 3.569720 1.600827 -0.751727
H 2.858126 -1.360777 2.335969
H -3.875011 2.026479 3.327368
H -3.059550 4.006290 -0.455784
H -3.583014 4.139909 1.998036
H -0.100778 -5.064066 -1.041422
H -1.614397 -5.498348 -0.166346
H -0.033198 -5.465187 0.730432


