%chk=000212021.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000212021

0 1
O -4.161548 0.834735 0.277663
O -6.000084 2.150020 0.538448
O 6.749503 0.798565 0.231683
N -0.940285 -0.612101 0.068543
N -6.182981 -0.101963 -0.111460
C -3.847276 -0.565029 -0.101718
C -2.968756 -0.488624 -1.350756
C -3.122957 -1.185580 1.093360
C -1.609450 0.156427 -1.032739
C -1.757098 -0.517128 1.324357
C -5.243155 -1.211453 -0.373780
C 0.455716 -0.116512 0.305033
C -5.529355 1.077049 0.262101
C 1.383118 -0.689338 -0.784844
C 2.814099 -0.334250 -0.496913
C 3.342040 0.892432 -0.946204
C 3.631393 -1.211699 0.224907
C 4.661839 1.236270 -0.683535
C 4.964935 -0.890487 0.503270
C 5.464755 0.332318 0.044117
C 7.672148 -0.041821 0.964102
H -3.474881 0.097020 -2.142571
H -2.808151 -1.510105 -1.751517
H -2.976891 -2.270073 0.912927
H -3.737196 -1.086708 2.009476
H -0.960438 0.117827 -1.933751
H -1.762330 1.230347 -0.779162
H -1.914013 0.533086 1.660515
H -1.218468 -1.050699 2.136240
H -5.339878 -1.579318 -1.416316
H -5.445814 -2.071725 0.297489
H 0.531275 0.991496 0.329128
H 0.802700 -0.476486 1.298905
H -7.179076 -0.205534 -0.213220
H 1.080406 -0.316766 -1.783976
H 1.247808 -1.790271 -0.840541
H 2.708621 1.580097 -1.506287
H 3.229662 -2.161340 0.578339
H 5.088129 2.177395 -1.022497
H 5.582329 -1.584370 1.062177
H 8.585650 0.567133 0.955061
H 7.826839 -0.987199 0.436517
H 7.315814 -0.197541 1.986229


%chk=000212021-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000212021

0 1
O -4.205318 0.872217 0.342677
O -6.043686 2.316810 0.072930
O 6.815674 0.894419 0.362296
N -0.963096 -0.663914 0.092435
N -6.167038 -0.010730 -0.382812
C -3.909755 -0.573828 0.003915
C -3.042730 -0.589452 -1.270925
C -3.144152 -1.181296 1.188288
C -1.657223 0.037248 -1.021051
C -1.750550 -0.543710 1.349585
C -5.327035 -1.200525 -0.218747
C 0.436789 -0.207265 0.280996
C -5.554108 1.174442 0.006461
C 1.391543 -0.678295 -0.848791
C 2.835960 -0.306508 -0.549448
C 3.317600 1.008186 -0.798550
C 3.731404 -1.238644 0.025885
C 4.638579 1.376974 -0.486509
C 5.064632 -0.890329 0.348020
C 5.517849 0.426468 0.090596
C 7.761418 -0.051420 0.956436
H -3.566272 -0.048056 -2.081631
H -2.909196 -1.642700 -1.585951
H -3.029036 -2.267678 1.005591
H -3.731251 -1.044507 2.115337
H -1.051174 -0.053872 -1.939036
H -1.781186 1.126645 -0.800858
H -1.875193 0.524040 1.656322
H -1.201045 -1.063272 2.155886
H -5.338716 -1.842785 -1.117590
H -5.636910 -1.808825 0.655022
H 0.503686 0.906766 0.377458
H 0.802649 -0.630425 1.235977
H -7.155363 -0.029029 -0.622768
H 1.082467 -0.226669 -1.810736
H 1.279593 -1.773406 -0.951162
H 2.649151 1.750820 -1.251768
H 3.386396 -2.261221 0.224239
H 5.013362 2.386596 -0.681198
H 5.727587 -1.642291 0.786807
H 8.694965 0.516328 1.083387
H 7.939946 -0.917662 0.289293
H 7.407479 -0.411551 1.942492


