%chk=000245366.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000245366

0 1
O 1.847128 2.687874 0.365875
O -2.704378 -1.630946 0.005460
O -3.719443 0.112707 -0.991120
N 0.807959 0.661714 0.550206
C 2.117636 0.043105 0.924019
C -0.353924 -0.138466 0.395260
C -1.385542 1.721920 -0.918578
C -0.516144 2.679798 -0.106770
C -1.437009 0.360515 -0.274914
C 2.753134 -0.672964 -0.275980
C 0.810378 2.066678 0.257417
C 4.081980 -1.328967 0.120917
C -0.342385 -1.498841 1.001854
C -2.711864 -0.323091 -0.473153
C 4.724712 -2.048983 -1.061699
C -3.941070 -2.372965 -0.164599
H 2.793684 0.855768 1.290338
H 1.963303 -0.657840 1.775094
H -0.994502 1.622090 -1.954036
H -2.411634 2.141445 -1.027021
H -1.037863 2.983158 0.828735
H -0.341692 3.625008 -0.664708
H 2.921109 0.051959 -1.098604
H 2.060558 -1.432274 -0.687055
H 3.921412 -2.044844 0.950657
H 4.779465 -0.560500 0.511540
H 0.530840 -1.720956 1.629810
H -0.404125 -2.276834 0.219235
H -1.244223 -1.654459 1.627223
H 4.936264 -1.359611 -1.887995
H 5.675286 -2.512709 -0.773453
H 4.079002 -2.842212 -1.455267
H -3.689880 -3.357172 0.240277
H -4.200426 -2.418385 -1.227486
H -4.740547 -1.884621 0.401520


%chk=000245366-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000245366

0 1
O 1.897959 2.663146 0.339997
O -2.962617 -1.631833 0.135871
O -3.682399 0.123620 -1.195874
N 0.813600 0.597932 0.528943
C 2.128349 -0.010768 0.883806
C -0.372175 -0.200729 0.447921
C -1.347546 1.641437 -0.943267
C -0.521191 2.602543 -0.075156
C -1.465821 0.282296 -0.259350
C 2.820432 -0.671602 -0.329650
C 0.828003 1.994111 0.263434
C 4.183842 -1.290604 0.053312
C -0.299753 -1.529301 1.170248
C -2.767253 -0.379523 -0.484034
C 4.890646 -1.953270 -1.148696
C -4.279997 -2.256772 -0.126302
H 2.760580 0.811084 1.259459
H 1.992029 -0.740939 1.698291
H -0.866963 1.521584 -1.936586
H -2.354364 2.044587 -1.133822
H -1.057417 2.814842 0.872168
H -0.337260 3.566388 -0.576365
H 2.967980 0.093717 -1.115837
H 2.165632 -1.455268 -0.761879
H 4.037764 -2.042050 0.856688
H 4.836215 -0.501149 0.477672
H -0.057314 -1.376445 2.238977
H 0.484930 -2.179856 0.741734
H -1.260935 -2.048626 1.094793
H 5.074975 -1.217462 -1.953490
H 5.865037 -2.384550 -0.855390
H 4.273903 -2.767790 -1.572977
H -4.253399 -3.205120 0.429971
H -4.414779 -2.431810 -1.206774
H -5.093492 -1.605720 0.235164


