%chk=000227560.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000227560

0 1
O 5.256420 -1.158105 -0.718564
O -5.256153 -1.158261 0.718638
O 1.694003 0.274663 1.881938
O -1.694152 0.275031 -1.881919
N 3.070664 0.477686 0.085976
N -3.070834 0.478095 -0.085969
C 3.367906 0.262896 -1.351672
C 4.271604 0.339523 0.955183
C -3.368023 0.263266 1.351687
C -4.271750 0.339590 -0.955157
C 4.081815 -1.086710 -1.549111
C 4.969915 -1.002778 0.688158
C -4.081556 -1.086530 1.549170
C -4.969711 -1.002887 -0.688091
C 1.802466 0.326920 0.662250
C -1.802614 0.327411 -0.662238
C 0.618572 0.335008 -0.250765
C -0.618717 0.335829 0.250768
H 4.029681 1.095133 -1.691395
H 2.441920 0.316861 -1.966565
H 3.971995 0.424624 2.027768
H 4.956511 1.188425 0.733217
H -4.030035 1.095330 1.691373
H -2.442055 0.317515 1.966581
H -3.972177 0.424738 -2.027748
H -4.956873 1.188320 -0.733204
H 3.423823 -1.943598 -1.323639
H 4.505456 -1.190657 -2.564718
H 5.979111 -1.046357 1.136209
H 4.366496 -1.861324 1.030592
H -3.423333 -1.943243 1.323709
H -4.505156 -1.190571 2.564784
H -5.978902 -1.046737 -1.136125
H -4.366074 -1.861283 -1.030516
H 0.800975 0.339913 -1.333812
H -0.801118 0.342365 1.333808


%chk=000227560-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000227560

0 1
O 5.566810 -0.966062 -0.743695
O -5.566699 -0.966080 0.743784
O 1.681640 0.361390 1.909021
O -1.681691 0.361068 -1.909046
N 3.086607 0.274089 0.054602
N -3.086672 0.274370 -0.054607
C 3.425367 0.132441 -1.378166
C 4.280043 0.348398 0.929550
C -3.425428 0.132803 1.378170
C -4.280109 0.348406 -0.929577
C 4.361359 -1.082482 -1.575660
C 5.192581 -0.867256 0.680643
C -4.361244 -1.082240 1.575777
C -5.192469 -0.867361 -0.680560
C 1.817926 0.305443 0.638554
C -1.817990 0.305761 -0.638553
C 0.627058 0.287493 -0.264181
C -0.627125 0.287651 0.264183
H 3.949059 1.048899 -1.717302
H 2.522086 0.003463 -1.992073
H 3.929739 0.383203 1.974283
H 4.835629 1.279244 0.699147
H -3.949260 1.049216 1.717208
H -2.522134 0.004025 1.992100
H -3.929798 0.383161 -1.974310
H -4.835838 1.279191 -0.699272
H 3.815902 -2.019148 -1.327738
H 4.722992 -1.130074 -2.615977
H 6.144370 -0.765135 1.226480
H 4.678359 -1.798806 0.999979
H -3.815644 -2.018849 1.327957
H -4.722885 -1.129780 2.616094
H -6.144269 -0.765436 -1.226416
H -4.678106 -1.798866 -0.999799
H 0.716167 0.298845 -1.355153
H -0.716232 0.299116 1.355155


