%chk=000269099.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000269099

0 1
S -4.953778 0.783352 -0.096366
O 0.838359 -2.991400 0.106807
O -4.728240 2.115170 -0.629132
O -5.932559 -0.087006 -0.720420
O 5.340491 -0.988983 0.136793
N 4.531563 1.164974 -0.022799
C -1.026066 0.035397 -0.034392
C 0.360984 0.533819 -0.037357
C -0.997521 -1.393670 0.011282
C 1.251146 -0.584292 0.016653
C 0.443097 -1.859330 0.052883
C -2.235316 0.707630 -0.071032
C -3.419479 -0.055143 -0.057380
C -2.158015 -2.136151 0.002828
C 0.864748 1.820729 -0.087050
C 2.616727 -0.428788 0.025677
C -3.390597 -1.442559 -0.038060
C 3.129012 0.899071 -0.023973
C 2.260101 2.001648 -0.079697
C -5.374169 0.943043 1.600123
C 5.568615 0.198165 0.055128
C 6.946100 0.795583 0.027180
H -2.278110 1.799362 -0.129363
H -2.131755 -3.226835 0.021240
H 0.205037 2.686084 -0.134621
H 3.290119 -1.296955 0.068565
H -4.322445 -2.018638 -0.070426
H 2.653236 3.016291 -0.120145
H -4.586865 0.638359 2.298271
H -5.623568 1.981273 1.870053
H -6.263317 0.352503 1.869124
H 4.792535 2.151423 -0.085875
H 7.151790 1.344043 -0.902089
H 7.700661 -0.008921 0.092561
H 7.133480 1.471751 0.872107


%chk=000269099-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000269099

0 1
S -5.065620 0.844399 -0.105929
O 0.846642 -3.055486 0.064118
O -4.748417 2.361148 -0.637792
O -6.141283 -0.142437 -0.842999
O 5.504658 -1.076255 0.060452
N 4.607484 1.092684 -0.016670
C -1.008147 0.036037 -0.007828
C 0.393502 0.522086 -0.010435
C -0.993782 -1.393408 0.014294
C 1.269036 -0.603928 0.017431
C 0.441579 -1.862979 0.036576
C -2.233950 0.727194 -0.027701
C -3.396994 -0.069000 -0.026418
C -2.171188 -2.154923 -0.006720
C 0.936085 1.818229 -0.040926
C 2.664063 -0.482825 0.019188
C -3.417357 -1.473922 -0.034264
C 3.211589 0.835649 -0.011222
C 2.341690 1.964412 -0.041226
C -5.614447 0.999143 1.721031
C 5.670091 0.174720 0.016287
C 7.048535 0.833295 -0.009747
H -2.315634 1.818344 -0.078492
H -2.122178 -3.248363 -0.009920
H 0.297628 2.707334 -0.068414
H 3.317646 -1.356864 0.040851
H -4.369740 -2.010655 -0.095308
H 2.773834 2.973033 -0.067144
H -4.840370 1.578068 2.243104
H -6.574497 1.532738 1.679924
H -5.723869 -0.021273 2.112919
H 4.872715 2.080374 -0.050566
H 7.194244 1.423429 -0.933553
H 7.812444 0.044034 0.028473
H 7.190010 1.506966 0.855724


