%chk=000268199.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000268199

0 1
S 0.763400 1.225943 0.563323
S -2.110190 0.120759 1.099703
O -0.094874 2.242122 -0.019448
O 1.602759 1.540826 1.691250
O -2.604011 -1.221124 1.318694
O -2.376097 1.152627 2.065070
N -0.359677 -0.025007 0.992066
C 0.223010 -1.225987 1.549802
C 1.717038 0.492738 -0.672274
C -2.571724 0.619278 -0.482318
C 1.090405 -1.144569 2.653901
C -0.065642 -2.471453 0.963708
C 2.893795 -0.186574 -0.339596
C -2.983046 -0.347168 -1.411664
C 1.314223 0.588448 -2.008919
C -2.581518 1.973681 -0.830242
C 1.672922 -2.309154 3.156444
C 0.521404 -3.626929 1.484306
C 3.666797 -0.776183 -1.344368
C -3.389249 0.038091 -2.688698
C 2.086370 0.000222 -3.014138
C -2.990822 2.361099 -2.113695
C 1.394651 -3.549941 2.573835
C 3.261650 -0.682924 -2.680142
C -3.392378 1.396501 -3.038547
H 1.304792 -0.178195 3.124995
H -0.768704 -2.541812 0.135009
H 3.215097 -0.254220 0.706478
H -2.997504 -1.406221 -1.129737
H 0.398356 1.130863 -2.270382
H -2.256855 2.737848 -0.107115
H 2.341642 -2.247412 4.014793
H 0.289885 -4.594248 1.039807
H 4.582753 -1.306163 -1.085775
H -3.711623 -0.710720 -3.409480
H 1.775290 0.075388 -4.055020
H -2.991892 3.416888 -2.381866
H 1.847531 -4.454311 2.974459
H 3.864580 -1.142845 -3.464647
H -3.713742 1.697338 -4.036572


%chk=000268199-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000268199

0 1
S 0.990638 1.044091 0.330441
S -2.101964 0.090762 1.050518
O 0.130224 2.253763 -0.334900
O 1.847457 1.245023 1.702542
O -2.840929 -1.309924 1.426936
O -1.995222 1.284757 2.151408
N -0.261055 -0.573401 0.415213
C 0.239731 -1.527702 1.361027
C 2.163407 0.355974 -0.977826
C -2.888846 0.742933 -0.536287
C 0.405631 -1.263618 2.753220
C 0.586929 -2.801341 0.827024
C 3.359317 -0.234028 -0.538616
C -3.574465 -0.187637 -1.334328
C 1.798592 0.496254 -2.326663
C -2.808059 2.117662 -0.805670
C 0.907055 -2.276397 3.592979
C 1.092536 -3.803468 1.678999
C 4.245947 -0.720089 -1.527896
C -4.220902 0.303918 -2.492013
C 2.700480 0.004541 -3.298064
C -3.468298 2.584942 -1.965737
C 1.252956 -3.542902 3.061294
C 3.915264 -0.603267 -2.898605
C -4.165227 1.683179 -2.804641
H 0.137983 -0.283235 3.159655
H 0.440194 -2.978333 -0.243112
H 3.592944 -0.289726 0.529389
H -3.620085 -1.242524 -1.046751
H 0.859301 0.985406 -2.603079
H -2.254445 2.788473 -0.143700
H 1.028949 -2.080141 4.663311
H 1.351520 -4.785822 1.269808
H 5.190641 -1.183588 -1.225703
H -4.769504 -0.387872 -3.139469
H 2.455154 0.098643 -4.360929
H -3.431618 3.651203 -2.210814
H 1.640423 -4.325506 3.723055
H 4.608609 -0.980369 -3.658164
H -4.672459 2.056867 -3.700848


