%chk=000226100.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000226100

0 1
O 2.986362 -0.001647 -0.184652
O -2.986433 -0.002773 0.184818
O 1.841128 0.000258 1.640747
O -1.841389 -0.000510 -1.640686
N 1.932042 -0.000707 0.425474
N -1.932168 -0.001453 -0.425404
C 0.641318 -0.000794 -0.447635
C -0.641361 -0.001026 0.447603
C 0.721609 1.280701 -1.299554
C 0.721700 -1.282116 -1.299761
C -0.722057 1.280442 1.299514
C -0.721178 -1.282339 1.299787
C 0.620384 2.551057 -0.449369
C 0.621033 -2.552613 -0.449721
C -0.621306 2.550829 0.449322
C -0.620011 -2.552837 0.449806
H -0.093757 1.260806 -2.058446
H 1.664932 1.289284 -1.886093
H 1.665024 -1.290385 -1.886397
H -0.093654 -1.262309 -2.058555
H 0.093360 1.260821 2.058358
H -1.665349 1.288695 1.886106
H -1.664472 -1.290969 1.886467
H 0.094209 -1.262146 2.058535
H 0.596534 3.436200 -1.117164
H 1.533413 2.675606 0.167148
H 1.534540 -2.677220 0.166105
H 0.596841 -3.437628 -1.117692
H -0.597775 3.435982 1.117116
H -1.534385 2.675043 -0.167190
H -1.533471 -2.677843 -0.166008
H -0.595462 -3.437809 1.117820


%chk=000226100-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000226100

0 1
O 3.059007 -0.001398 -0.275844
O -3.058947 -0.003293 0.275855
O 1.941053 0.004193 1.687813
O -1.940949 0.002964 -1.687796
N 1.970144 0.000647 0.403839
N -1.970084 -0.000018 -0.403822
C 0.624821 -0.000967 -0.477143
C -0.624786 -0.001171 0.477184
C 0.731497 1.301374 -1.315680
C 0.733603 -1.303743 -1.314821
C -0.731936 1.301155 1.315691
C -0.733173 -1.303972 1.314868
C 0.634619 2.576493 -0.442605
C 0.636210 -2.578631 -0.441501
C -0.635492 2.576287 0.442588
C -0.635322 -2.578844 0.441572
H -0.086012 1.282745 -2.055468
H 1.685811 1.275189 -1.870067
H 1.688719 -1.277214 -1.867817
H -0.082759 -1.285996 -2.055860
H 0.085568 1.282828 2.055492
H -1.686249 1.274651 1.870063
H -1.688325 -1.277752 1.867819
H 0.083145 -1.285944 2.055949
H 0.634180 3.463115 -1.103341
H 1.534718 2.664406 0.198791
H 1.535348 -2.665841 0.201338
H 0.637307 -3.465440 -1.101981
H -0.635356 3.462927 1.103300
H -1.535619 2.663874 -0.198811
H -1.534425 -2.666382 -0.201274
H -0.636116 -3.465641 1.102069


