%chk=000241618.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000241618

0 1
S -1.042062 0.279155 0.916235
S 0.464957 -1.279074 -1.301453
O -0.654609 -0.922599 1.624469
O -0.790044 1.585237 1.485096
O 0.945377 -0.868988 -2.604971
O -0.691858 -2.154611 -1.222367
O 1.660854 3.278985 -0.935597
O 2.610911 1.257001 -0.555904
N -0.118102 0.187149 -0.550578
C 0.230276 1.450860 -1.212842
C -2.685369 0.199023 0.418749
C 1.734641 -1.865107 -0.325850
C 1.638067 1.911161 -0.844678
C -3.515650 1.311245 0.620541
C 3.063485 -1.546251 -0.640342
C -3.202736 -0.964166 -0.159993
C 1.452204 -2.658339 0.795571
C -4.857477 1.260379 0.243107
C 4.106642 -2.046245 0.142545
C -4.549557 -1.015211 -0.538661
C 2.496487 -3.157565 1.578452
C -5.374378 0.093785 -0.337507
C 3.821642 -2.852583 1.250398
C 2.922139 3.972449 -0.667445
C 3.826568 3.876235 -1.877801
H 0.195867 1.338075 -2.332651
H -0.496821 2.263622 -0.959920
H -3.111128 2.221512 1.079780
H 3.285222 -0.893463 -1.494040
H -2.556743 -1.842756 -0.333102
H 0.409733 -2.874526 1.071924
H -5.502549 2.123216 0.400452
H 5.137281 -1.796691 -0.102786
H -4.947744 -1.922430 -0.992532
H 2.274022 -3.771398 2.449791
H -6.423970 0.054124 -0.632460
H 4.636239 -3.239472 1.864197
H 3.374303 3.536907 0.241525
H 2.555756 4.997159 -0.472841
H 4.717368 4.505039 -1.763928
H 4.169457 2.842992 -2.037532
H 3.310101 4.189867 -2.794252


%chk=000241618-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000241618

0 1
S -1.046149 0.552106 0.666837
S 0.554213 -1.407911 -1.467419
O -0.493563 -0.681987 1.566299
O -0.760421 2.101438 1.093806
O 1.242628 -1.085144 -2.910302
O -0.649777 -2.486472 -1.322722
O 1.631844 3.335853 -1.255062
O 2.225074 1.263034 -0.349495
N -0.455642 0.288009 -1.166999
C 0.196754 1.482996 -1.735336
C -2.898933 0.347222 0.361439
C 1.938536 -1.948989 -0.282871
C 1.451373 1.988680 -1.013951
C -3.732207 1.413425 0.732720
C 3.254598 -1.643208 -0.657930
C -3.342988 -0.865622 -0.190009
C 1.576723 -2.687513 0.852545
C -5.123895 1.239422 0.544303
C 4.287901 -2.130964 0.173663
C -4.738018 -1.012304 -0.368103
C 2.629720 -3.160350 1.668529
C -5.621034 0.032183 -0.000334
C 3.975353 -2.881926 1.331471
C 2.844704 3.973813 -0.642677
C 4.059771 3.813822 -1.558965
H 0.477918 1.199521 -2.770319
H -0.552041 2.291998 -1.798988
H -3.311068 2.333638 1.150106
H 3.461960 -1.058041 -1.557435
H -2.634300 -1.644855 -0.497250
H 0.528658 -2.882090 1.090851
H -5.811489 2.044503 0.823019
H 5.330642 -1.917978 -0.082782
H -5.128777 -1.938452 -0.801662
H 2.392525 -3.737947 2.567618
H -6.699566 -0.093567 -0.144627
H 4.782891 -3.250391 1.973392
H 3.012550 3.512073 0.345582
H 2.544422 5.026660 -0.525990
H 4.917826 4.367514 -1.134771
H 4.347400 2.753113 -1.650790
H 3.852682 4.218389 -2.564591


