%chk=000267103.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000267103

0 1
S -0.000088 1.690214 0.104900
O 0.000572 2.741990 -0.865647
O -0.000129 0.289189 -0.323758
O -3.967801 -2.448604 -1.353060
O 3.967472 -2.450729 -1.347980
O -8.001467 -0.425795 -0.356370
O 8.000908 -0.428989 -0.348200
N -2.611206 -0.036198 0.030757
N 2.610423 -0.037384 0.033764
N -6.109072 0.687180 0.328933
N 6.108262 0.684876 0.334953
N -3.876394 1.656816 0.936989
N 3.875364 1.655424 0.940731
N -5.980171 -1.437148 -0.868106
N 5.979737 -1.439796 -0.861511
C -1.391154 1.880690 1.182979
C 1.389977 1.880220 1.184358
C -2.602395 1.181209 0.705402
C 2.601410 1.180214 0.708057
C -3.958028 -0.355853 -0.193015
C 3.957340 -0.357561 -0.188689
C -4.719776 0.703063 0.376106
C 4.718929 0.701239 0.380862
C -4.541020 -1.504332 -0.855232
C 4.540550 -1.506482 -0.849943
C -6.786930 -0.401687 -0.310806
C 6.786337 -0.404444 -0.303783
C -6.892476 1.801290 0.915261
C 6.891515 1.798803 0.921826
C -6.720932 -2.538229 -1.545860
C 6.720720 -2.541343 -1.538263
H -1.193957 1.555895 2.232294
H -1.661148 2.967273 1.312396
H 1.191593 1.555613 2.233504
H 1.660279 2.966711 1.313931
H -1.813562 -0.588933 -0.303681
H 1.812898 -0.589813 -0.301470
H -6.674417 1.895367 1.993763
H -6.632590 2.754455 0.421035
H -7.976174 1.613966 0.783593
H 6.672327 1.893291 2.000062
H 7.975272 1.610974 0.791377
H 6.632577 2.751938 0.427040
H -7.628864 -2.802333 -0.974596
H -7.024496 -2.229196 -2.560663
H -6.073479 -3.431758 -1.628169
H 6.073206 -3.434843 -1.620391
H 7.024825 -2.232921 -2.553089
H 7.628336 -2.805229 -0.966392


%chk=000267103-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000267103

0 1
S -0.000590 1.255750 1.150615
O 0.000484 2.129730 -0.217972
O -0.000875 -0.418223 1.023644
O -3.960691 -2.769133 -0.615804
O 3.959392 -2.770720 -0.611716
O -7.589293 0.069539 -1.637426
O 7.589846 0.066752 -1.630095
N -2.842653 -0.358400 0.982367
N 2.840841 -0.359696 0.985657
N -5.877459 0.959445 -0.303532
N 5.877615 0.956894 -0.296870
N -3.941728 1.651687 1.069755
N 3.940617 1.649955 1.074216
N -5.773807 -1.320212 -1.120123
N 5.773772 -1.322618 -1.113842
C -1.751452 1.478563 2.286099
C 1.749004 1.477669 2.288258
C -2.835045 0.946147 1.472058
C 2.833278 0.944823 1.475430
C -3.998526 -0.503801 0.233127
C 3.997513 -0.505594 0.237750
C -4.660362 0.741890 0.317407
C 4.659765 0.739827 0.322763
C -4.512635 -1.635593 -0.505894
C 4.511933 -1.637571 -0.500772
C -6.481233 -0.081730 -1.053571
C 6.481917 -0.084616 -1.046018
C -6.542139 2.274589 -0.209241
C 6.542535 2.271890 -0.202186
C -6.435290 -2.382089 -1.915528
C 6.435230 -2.384452 -1.909325
H -1.428465 0.858032 3.133746
H -1.855702 2.546821 2.512672
H 1.424698 0.857185 3.135435
H 1.853463 2.545858 2.515055
H -2.008375 -0.968603 0.994730
H 2.006323 -0.969570 0.997067
H -6.751630 2.517175 0.845891
H -5.889845 3.057627 -0.630492
H -7.480494 2.214648 -0.778920
H 6.751038 2.514627 0.853107
H 7.481452 2.211586 -0.770900
H 5.890868 3.055018 -0.624239
H -7.425183 -2.611923 -1.489254
H -6.575775 -2.042208 -2.954258
H -5.785744 -3.268743 -1.883860
H 5.785096 -3.270712 -1.878701
H 6.576788 -2.044075 -2.947748
H 7.424625 -2.615143 -1.482362


