%chk=000241278.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000241278

0 1
O 1.515446 0.455528 -1.169847
O 1.514935 0.453337 1.170830
O -4.341430 -1.518129 -0.000719
O -2.422586 -2.514708 -0.001001
N -3.120197 -1.514168 -0.000661
C 3.461496 -0.505659 0.000013
C 2.943026 0.249164 -1.249526
C 2.942477 0.246809 1.250744
C 2.929011 -1.941396 -0.001461
C 4.994622 -0.495515 0.000361
C 1.095680 1.171075 0.001070
C -0.412005 1.103865 0.000668
C -1.041191 -0.148054 0.000202
C -1.173945 2.279363 0.000735
C -2.441650 -0.200117 -0.000177
C -2.572776 2.209859 0.000345
C -3.215887 0.972455 -0.000110
H 3.436361 1.224950 -1.388027
H 3.033083 -0.349400 -2.174021
H 3.032125 -0.353497 2.174149
H 3.435756 1.222330 1.391302
H 1.827931 -1.937176 -0.001747
H 3.253880 -2.499850 -0.884931
H 3.253419 -2.501494 0.881137
H 5.407676 0.518348 0.001411
H 5.396068 -1.014186 0.879456
H 5.396458 -1.012522 -0.879535
H 1.533111 2.188457 0.002120
H -0.440687 -1.067852 0.000155
H -0.682424 3.253871 0.001082
H -3.162064 3.127359 0.000395
H -4.309118 0.901853 -0.000410


%chk=000241278-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000241278

0 1
O 1.489465 0.301790 -1.207206
O 1.489023 0.299588 1.207945
O -4.620887 -1.378375 -0.001407
O -2.654860 -2.534845 -0.001160
N -3.330508 -1.435611 -0.000211
C 3.533924 -0.515787 -0.000017
C 2.967171 0.221085 -1.244274
C 2.966707 0.218744 1.245414
C 3.094614 -1.999004 -0.001495
C 5.075628 -0.398838 0.000394
C 1.048521 1.002178 0.000938
C -0.461220 1.030813 0.000682
C -1.170666 -0.190530 0.000371
C -1.167890 2.254507 0.000686
C -2.576853 -0.149738 0.000082
C -2.583118 2.269737 0.000371
C -3.305453 1.060385 0.000061
H 3.387897 1.251448 -1.300549
H 3.203129 -0.316823 -2.177102
H 3.202284 -0.320965 2.177299
H 3.387463 1.248974 1.303839
H 1.995187 -2.083102 -0.001869
H 3.482127 -2.521306 -0.896295
H 3.481663 -2.522974 0.892529
H 5.407403 0.657570 0.001511
H 5.505659 -0.892049 0.892046
H 5.506024 -0.890263 -0.892067
H 1.491512 2.029057 0.001936
H -0.645424 -1.147949 0.000416
H -0.613197 3.200167 0.000930
H -3.120655 3.223117 0.000374
H -4.398070 1.033902 -0.000170


