%chk=000251342.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000251342

0 1
O -3.776496 0.317168 0.253252
O 2.664852 2.015582 -0.369542
O 2.563828 -1.536661 0.034090
O -3.048344 0.270108 -1.889580
O 1.499338 1.627752 1.532633
O 0.977302 -2.732351 1.184174
N 0.438497 -0.742976 0.096638
C -0.415508 1.137582 -1.079368
C -1.484244 0.695896 -0.040176
C -0.933660 -0.568434 0.688387
C 0.906219 0.477152 -0.592762
C -0.323976 2.647226 -1.228527
C -0.890205 -0.391918 2.198611
C -2.804957 0.401755 -0.713889
C 1.674096 1.407564 0.359255
C 1.290977 -1.760609 0.529326
C -5.140230 -0.017939 -0.163510
C 3.536970 2.976381 0.307643
C 3.542293 -2.608077 0.243821
C -5.239821 -1.502006 -0.443752
C 2.813844 4.295088 0.484340
C 3.270824 -3.753085 -0.707391
H -0.673149 0.688637 -2.077273
H -1.644048 1.512709 0.711263
H -1.523183 -1.485512 0.423935
H 1.581653 0.196907 -1.446513
H -1.219743 3.048953 -1.720898
H 0.540514 2.935259 -1.844109
H -0.221268 3.166459 -0.266872
H -0.510758 -1.300997 2.691188
H -1.886289 -0.188543 2.608211
H -0.223001 0.433388 2.500409
H -5.400613 0.600843 -1.040451
H -5.710641 0.298972 0.728823
H 4.378309 3.030178 -0.407342
H 3.861866 2.536428 1.267326
H 4.478395 -2.063050 0.021788
H 3.502305 -2.914300 1.304636
H -6.279470 -1.811397 -0.604793
H -4.839332 -2.098655 0.386373
H -4.671870 -1.777474 -1.345364
H 2.376729 4.646472 -0.458633
H 1.994305 4.203997 1.212938
H 3.490970 5.076622 0.849856
H 4.072456 -4.500083 -0.677348
H 3.173654 -3.405066 -1.743738
H 2.331309 -4.267645 -0.450083


%chk=000251342-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000251342

0 1
O -3.715545 0.675768 0.278765
O 2.677901 2.127102 -0.224330
O 2.761178 -1.596003 0.111397
O -3.017955 -0.009121 -1.840676
O 1.290107 1.671077 1.596716
O 1.054469 -2.969575 0.994884
N 0.612063 -0.811242 0.195693
C -0.297446 0.892506 -1.166065
C -1.350764 0.513490 -0.090691
C -0.845104 -0.836541 0.529757
C 1.040205 0.396457 -0.527974
C -0.332940 2.367759 -1.596808
C -1.123479 -0.942112 2.039309
C -2.745356 0.361535 -0.673783
C 1.655020 1.439542 0.420860
C 1.427086 -1.880793 0.479629
C -5.145371 0.493111 -0.131221
C 3.363952 3.203335 0.560847
C 3.724567 -2.715582 0.308063
C -5.591831 -0.953009 0.099175
C 2.596679 4.525101 0.471513
C 3.729522 -3.655685 -0.901028
H -0.481201 0.253586 -2.051560
H -1.375712 1.271025 0.712236
H -1.300571 -1.702283 0.007499
H 1.793600 0.154178 -1.292919
H -1.290571 2.591449 -2.099462
H 0.482983 2.596214 -2.305079
H -0.233938 3.048255 -0.730903
H -0.767921 -1.910243 2.428192
H -2.210456 -0.860164 2.221040
H -0.609639 -0.124991 2.574796
H -5.243979 0.781268 -1.192540
H -5.689047 1.203872 0.511107
H 4.357660 3.267288 0.089982
H 3.457364 2.861706 1.606681
H 4.692047 -2.203905 0.438745
H 3.451742 -3.255647 1.231649
H -6.670457 -1.050178 -0.124264
H -5.429072 -1.253444 1.148690
H -5.041475 -1.644060 -0.561114
H 2.441192 4.821062 -0.580410
H 1.617438 4.446409 0.972769
H 3.175216 5.323535 0.972203
H 4.507116 -4.431578 -0.770228
H 3.947439 -3.101965 -1.830986
H 2.753981 -4.160208 -1.003152


