%chk=000235694.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000235694

0 1
O 3.712052 -0.001609 1.188648
O -2.096220 0.000933 -0.525818
O -0.854991 0.002970 -2.456864
N 0.146898 -0.000598 -0.348483
C 1.556632 -0.000514 -0.838378
C 2.240744 1.249427 -0.338504
C 2.240421 -1.251031 -0.339521
C 3.244713 1.189803 0.637205
C 3.244420 -1.192441 0.636227
C 1.878132 2.515144 -0.826679
C 1.877494 -2.516266 -0.828712
C 3.880048 2.334050 1.146439
C 3.879485 -2.337263 1.144513
C 2.497002 3.666091 -0.339200
C 2.496089 -3.667759 -0.342181
C 3.491399 3.574547 0.647369
C 3.490529 -3.577258 0.644443
C -0.909538 0.001285 -1.240727
C -3.315517 0.002774 -1.350482
C -4.426001 0.001836 -0.341234
C -4.945921 -1.212811 0.129977
C -4.944982 1.215602 0.133273
C -5.989205 -1.210686 1.059868
C -5.988270 1.211759 1.063154
C -6.512455 0.000110 1.525253
H 1.540227 -0.000025 -1.969266
H -0.017808 -0.001704 0.655661
H 1.101335 2.591266 -1.590682
H 1.100660 -2.591584 -1.592749
H 4.651849 2.233320 1.906404
H 4.651325 -2.237335 1.904547
H 2.207733 4.642196 -0.724283
H 2.206573 -4.643481 -0.728046
H 3.965808 4.481391 1.023946
H 3.964725 -4.484524 1.020272
H -3.292157 -0.896927 -1.991780
H -3.291233 0.904352 -1.989101
H -4.533107 -2.156946 -0.222861
H -4.531440 2.160373 -0.217000
H -6.392871 -2.153997 1.424205
H -6.391208 2.154389 1.430049
H -7.325671 -0.000558 2.249096


%chk=000235694-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000235694

0 1
O 3.915490 -0.001609 1.111339
O -2.091887 0.001162 -0.424291
O -0.816054 0.002785 -2.413390
N 0.176106 -0.000101 -0.280003
C 1.583658 -0.000269 -0.752694
C 2.311429 1.263101 -0.299304
C 2.310685 -1.264373 -0.300200
C 3.396799 1.212045 0.606995
C 3.396104 -1.214589 0.606114
C 1.892916 2.536182 -0.759647
C 1.891414 -2.536886 -0.761419
C 4.039814 2.383652 1.064619
C 4.038451 -2.386900 1.062881
C 2.525260 3.716837 -0.322665
C 2.523080 -3.718221 -0.325299
C 3.600303 3.637218 0.598913
C 3.598203 -3.639879 0.596297
C -0.887516 0.001481 -1.153603
C -3.332511 0.002698 -1.271242
C -4.514766 0.001663 -0.334333
C -5.077210 -1.220320 0.113101
C -5.076509 1.222643 0.116703
C -6.177339 -1.223598 0.999103
C -6.176636 1.223935 1.002713
C -6.729277 -0.000330 1.446254
H 1.491561 0.000193 -1.855687
H -0.017635 -0.000973 0.723138
H 1.054142 2.587759 -1.464101
H 1.052561 -2.587475 -1.465851
H 4.871632 2.288879 1.768849
H 4.870341 -2.293108 1.767158
H 2.187704 4.690376 -0.692458
H 2.184938 -4.691301 -0.695762
H 4.096113 4.549344 0.947839
H 4.093495 -4.552540 0.944558
H -3.304621 -0.892058 -1.918134
H -3.304152 0.899302 -1.915555
H -4.648929 -2.169353 -0.231563
H -4.647684 2.172444 -0.225154
H -6.604310 -2.174047 1.337904
H -6.603061 2.173625 1.344323
H -7.584408 -0.001094 2.131550


