%chk=000245093.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000245093

0 1
S 0.709940 2.051825 -0.428105
S -2.681340 -0.289207 0.392831
S 2.380991 -1.953578 -0.454727
O 2.898956 -0.591124 0.418789
O 1.919371 2.836842 -0.544380
O 0.570929 0.905188 -1.325955
O -2.718434 -1.249564 -0.987321
O -3.563365 -0.902378 1.351292
O -2.967938 1.072536 -0.028859
O 3.379257 -2.965122 -0.255940
O 1.035949 -2.199651 0.038704
N 0.660518 1.478104 1.199634
C -0.543693 0.766294 1.685139
C 1.956071 1.105523 1.814595
C -1.014219 -0.414953 0.827497
C 2.354662 -0.376174 1.727407
C -0.685444 3.055287 -0.554976
C 2.403401 -1.323712 -2.046506
C -4.022045 -1.567215 -1.493998
H -1.346966 1.543348 1.776941
H -0.361565 0.408095 2.726765
H 1.927402 1.407912 2.888249
H 2.765461 1.724065 1.339269
H -0.755846 -1.391312 1.311115
H -0.357677 -0.556822 -0.091377
H 1.506096 -1.057381 1.929967
H 3.182029 -0.600494 2.431126
H -1.658687 2.497097 -0.545182
H -0.726717 3.629101 -1.494058
H -0.786712 3.802260 0.246007
H 3.374499 -0.902091 -2.353048
H 2.123483 -2.042621 -2.829293
H 1.685027 -0.465606 -2.178081
H -4.629336 -2.053013 -0.718688
H -3.815281 -2.270218 -2.313183
H -4.504476 -0.661840 -1.880949


%chk=000245093-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000245093

0 1
S 0.857630 2.152977 -0.413996
S -2.909672 -0.209023 0.380780
S 2.522784 -2.084202 -0.513717
O 2.918908 -0.451420 0.358041
O 2.263557 2.961146 -0.416199
O 0.580140 1.030020 -1.578535
O -2.891899 -1.265323 -1.156925
O -3.856100 -0.916879 1.490540
O -3.193592 1.352428 0.007889
O 3.722793 -3.148179 -0.328797
O 1.021907 -2.497618 -0.040366
N 0.677245 1.482211 1.312429
C -0.608863 0.832065 1.640813
C 1.942101 1.080788 1.953922
C -1.022671 -0.386180 0.767693
C 2.423098 -0.369546 1.740696
C -0.606072 3.366692 -0.489198
C 2.528630 -1.318937 -2.243474
C -4.207443 -1.870663 -1.453488
H -1.402281 1.601916 1.580429
H -0.539898 0.536098 2.703043
H 1.821352 1.254495 3.042843
H 2.724394 1.776966 1.597797
H -0.929514 -1.380441 1.225126
H -0.576301 -0.377044 -0.238755
H 1.598334 -1.095338 1.897654
H 3.246687 -0.597023 2.444266
H -1.533661 2.772447 -0.439134
H -0.488947 3.868382 -1.460381
H -0.473886 4.054705 0.356393
H 3.564745 -0.995616 -2.412055
H 2.217058 -2.121874 -2.926070
H 1.822998 -0.472204 -2.183653
H -4.668605 -2.287673 -0.538897
H -3.966996 -2.687879 -2.153914
H -4.883659 -1.140873 -1.932096


