%chk=000270426.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000270426

0 1
S 0.875641 0.396169 1.065803
O 0.495335 -0.739804 1.887819
O 0.753259 1.750033 1.587713
O -4.777013 -1.348086 -0.548986
O -5.600736 0.939624 0.614701
C -0.065914 0.289514 -0.457118
C -1.531306 0.445223 -0.154376
C 2.519172 0.157416 0.558805
C 0.411200 1.352969 -1.440523
C -2.415795 -0.596777 -0.497666
C -2.020405 1.614462 0.443195
C 3.342798 1.259926 0.311684
C 3.036817 -1.136378 0.445757
C -3.773558 -0.443566 -0.239150
C -3.386321 1.775335 0.698138
C 5.184322 -0.226341 -0.222854
C 4.667170 1.073741 -0.085590
C 4.359669 -1.332555 0.048922
C -4.266684 0.747425 0.358291
C 6.604479 -0.430963 -0.631297
C -4.384655 -2.738434 -0.658019
H 0.105875 -0.716662 -0.920045
H -0.241829 1.381422 -2.325731
H 0.382609 2.363425 -1.004553
H 1.429673 1.161944 -1.799159
H -2.040140 -1.507015 -0.955391
H -1.328037 2.410927 0.741084
H 2.950699 2.275735 0.441159
H 2.408037 -2.001684 0.682901
H -3.770607 2.680463 1.167236
H 5.302451 1.936299 -0.276845
H 4.756354 -2.342075 -0.037506
H 6.754568 -1.369810 -1.182084
H 6.981457 0.379697 -1.270164
H 7.259406 -0.471146 0.254210
H -6.122563 0.118782 0.388169
H -5.356206 -3.243159 -0.730763
H -3.839007 -3.056121 0.235713
H -3.796016 -2.885655 -1.567783


%chk=000270426-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000270426

0 1
S 0.716647 0.255856 0.909583
O 0.097439 -1.214082 1.322302
O 0.723965 1.519362 1.958919
O -4.477553 -1.677011 0.112168
O -5.826933 0.597586 0.467592
C -0.290233 0.879958 -0.881953
C -1.732286 0.837437 -0.560697
C 2.525518 -0.052010 0.428236
C 0.377505 2.200499 -1.225590
C -2.369787 -0.435185 -0.437280
C -2.489065 2.016661 -0.318111
C 3.450975 0.988232 0.614189
C 2.887556 -1.320719 -0.053771
C -3.721773 -0.504511 -0.083706
C -3.857885 1.943229 0.008850
C 5.214694 -0.517540 -0.229852
C 4.800696 0.743620 0.276337
C 4.243051 -1.541956 -0.386119
C -4.479480 0.686364 0.129474
C 6.674200 -0.779533 -0.555740
C -3.752040 -2.952893 0.107769
H 0.057861 0.024004 -1.482969
H -0.111457 2.654241 -2.108386
H 0.301339 2.913899 -0.384789
H 1.445201 2.061175 -1.465142
H -1.778182 -1.344349 -0.575246
H -2.011307 2.998153 -0.385031
H 3.122991 1.943211 1.038988
H 2.138820 -2.116278 -0.130026
H -4.453094 2.842439 0.190391
H 5.542557 1.538799 0.415248
H 4.551717 -2.524453 -0.762308
H 6.783792 -1.535357 -1.352759
H 7.189664 0.140596 -0.881595
H 7.212655 -1.159736 0.333946
H -6.068087 -0.365271 0.542453
H -4.494648 -3.712863 0.390862
H -2.924584 -2.933011 0.841108
H -3.356249 -3.174264 -0.901648


