%chk=000256309.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000256309

0 1
I 2.264836 2.409661 -1.822856
I -4.319952 -0.674607 -1.303532
S 1.738259 -1.252436 0.094483
O 1.265612 -2.426719 1.223351
O 1.762704 -1.926909 -1.166871
O 2.954772 -0.709399 0.654985
C 0.404952 -0.180400 0.260545
C 0.542472 1.215286 0.302482
C -2.012610 0.023125 0.501723
C -0.867118 -0.766711 0.351978
C -0.617831 2.010050 0.437397
C -1.874004 1.426902 0.532623
C 1.854052 1.901772 0.222004
C -3.348470 -0.601366 0.626597
H -0.968302 -1.859224 0.312983
H -0.524616 3.097593 0.448277
H -2.762487 2.056691 0.622239
H 2.722821 1.298250 0.587188
H 1.887850 2.842716 0.798816
H -4.029945 -0.042136 1.289368
H -3.314744 -1.642493 0.990910
H 1.970247 -2.983645 1.580509


%chk=000256309-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000256309

0 1
I 2.391095 2.849134 -1.382519
I -4.446863 -0.518440 -1.690864
S 1.660581 -1.504103 -0.009237
O 2.258291 -1.387616 1.755126
O 1.026250 -2.967637 -0.271059
O 2.847752 -0.961009 -0.962076
C 0.261588 -0.253854 0.223282
C 0.531540 1.119844 0.429669
C -2.144834 0.023278 0.370124
C -1.019687 -0.819520 0.189336
C -0.618383 1.939302 0.615674
C -1.919766 1.409600 0.586582
C 1.902122 1.724724 0.493512
C -3.528798 -0.544491 0.365231
H -1.136503 -1.896419 0.022199
H -0.468662 3.013293 0.772544
H -2.778078 2.076499 0.725834
H 2.719691 0.999733 0.583474
H 1.972744 2.497723 1.270686
H -4.241643 0.042335 0.960908
H -3.568734 -1.606721 0.641919
H 3.028795 -2.019654 1.854855


