%chk=000257093.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000257093

0 1
S 0.814038 0.932348 0.563358
O 1.013625 1.468366 1.897623
O 0.443658 1.849146 -0.505539
O -3.715442 -1.844325 0.022005
N -0.386300 -0.305994 0.719205
N -5.356905 -0.361710 0.447264
C -3.113788 0.530339 -0.114182
C -2.503211 0.967183 1.231044
C -2.017234 0.186990 -1.137408
C -1.440773 -0.028282 1.732644
C -0.982040 -0.791714 -0.556093
C -4.034718 -0.670863 0.111382
C 2.208457 0.038239 0.056748
C 2.768499 0.287380 -1.200648
C 2.779773 -0.912967 0.906282
C 3.900362 -0.420984 -1.612545
C 3.912598 -1.623600 0.494787
C 4.470894 -1.376771 -0.763567
H -3.708397 1.383741 -0.527984
H -3.289578 1.089598 1.998387
H -2.049050 1.973210 1.106089
H -1.509146 1.128336 -1.451881
H -2.465718 -0.246232 -2.050697
H -0.961438 0.351399 2.665658
H -1.922015 -1.002178 1.989719
H -1.480786 -1.774213 -0.343174
H -0.176976 -0.996953 -1.291139
H -6.011556 -1.106455 0.631537
H -5.696408 0.571440 0.578345
H 2.321941 1.041132 -1.860686
H 2.347489 -1.105257 1.893020
H 4.338625 -0.227509 -2.590276
H 4.358552 -2.365732 1.155128
H 5.354668 -1.929708 -1.084307


%chk=000257093-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000257093

0 1
S 0.839793 0.991515 0.515739
O 1.061971 1.550714 2.033901
O 0.536776 2.038137 -0.715144
O -3.756044 -1.821452 0.535201
N -0.448730 -0.435697 0.690125
N -5.524749 -0.382906 0.143412
C -3.234624 0.551529 0.053984
C -2.502365 0.925629 1.378392
C -2.187116 0.274892 -1.064287
C -1.421792 -0.107633 1.772619
C -1.098546 -0.734482 -0.621625
C -4.169890 -0.650121 0.262977
C 2.353776 -0.013740 -0.003129
C 2.854314 0.190610 -1.298092
C 2.936141 -0.878171 0.938022
C 4.011039 -0.532570 -1.674658
C 4.090433 -1.592001 0.542323
C 4.622346 -1.420412 -0.758927
H -3.846711 1.421490 -0.256369
H -3.227128 1.024799 2.208919
H -2.020703 1.913898 1.244168
H -1.699801 1.230516 -1.331230
H -2.685653 -0.117349 -1.971167
H -0.847393 0.249219 2.644635
H -1.889074 -1.078619 2.024334
H -1.552028 -1.733663 -0.478219
H -0.311751 -0.819543 -1.392971
H -6.185578 -1.147957 0.283530
H -5.878873 0.544944 -0.081158
H 2.362484 0.902629 -1.969282
H 2.508602 -0.985774 1.939257
H 4.432356 -0.397849 -2.676368
H 4.571873 -2.277170 1.247808
H 5.518344 -1.976010 -1.056621


