%chk=000270316.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000270316

0 1
S -0.462833 1.452925 -0.145267
S 1.852888 -0.470849 -0.781586
O 0.638054 2.260991 0.363449
O -1.321610 0.755968 0.777932
O 1.556402 -1.262314 0.385106
O 2.323270 -1.120347 -1.993414
C 0.338843 0.374368 -1.298630
C -0.614254 -0.697741 -1.842539
C -1.224006 -1.638528 -0.795836
C -1.481496 2.447740 -1.198034
C 2.962577 0.829867 -0.397153
C -1.884437 -2.848778 -1.472201
C -2.166752 3.522496 -0.407003
C 4.268493 0.287022 0.094512
C -2.578787 -3.722143 -0.460611
C -1.909900 4.873108 -0.685555
C 5.080670 -0.473706 -0.763059
C -3.085279 3.178400 0.598215
C 4.694057 0.554985 1.404054
C -1.825241 -4.476004 0.453735
C -3.979118 -3.795685 -0.428943
C -2.572022 5.871312 0.035978
C 6.309877 -0.956138 -0.309983
C -3.741463 4.181633 1.313739
C 5.926598 0.067804 1.849128
C -3.489665 5.529227 1.033026
C 6.737297 -0.684717 0.994542
C -2.467922 -5.293621 1.385457
C -4.617349 -4.617678 0.504959
C -3.865046 -5.368470 1.412495
H 0.647463 0.988425 -2.184137
H -1.428619 -0.212557 -2.418858
H -0.062256 -1.306665 -2.601565
H -0.454992 -1.990407 -0.068085
H -1.965379 -1.108656 -0.157691
H -0.905930 2.897608 -2.031975
H -2.259919 1.835212 -1.706169
H 3.154605 1.500546 -1.261729
H 2.527696 1.545776 0.360898
H -1.118378 -3.446884 -2.010902
H -2.597514 -2.511440 -2.249863
H -1.192059 5.151401 -1.453587
H 4.743810 -0.706229 -1.776771
H -3.270939 2.127305 0.840736
H 4.064146 1.133942 2.078406
H -0.737209 -4.415125 0.442224
H -4.573091 -3.211634 -1.127310
H -2.367699 6.919205 -0.179764
H 6.935343 -1.549837 -0.975408
H -4.449072 3.910873 2.097248
H 6.252281 0.274299 2.867727
H -4.002984 6.308040 1.593781
H 7.695486 -1.063270 1.344048
H -1.878592 -5.872488 2.094825
H -5.704153 -4.670453 0.525263
H -4.362593 -6.006113 2.139047


%chk=000270316-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000270316

0 1
S -0.074117 1.787813 -1.156428
S 2.120817 -0.304338 -2.439935
O 0.975452 2.992583 -1.553550
O 0.039164 1.128032 0.338252
O 1.994273 -1.840320 -1.894495
O 2.593323 -0.066595 -3.991861
C 0.213127 0.430899 -2.522934
C -0.787656 -0.709894 -2.558583
C -1.081962 -1.439064 -1.223875
C -1.998710 2.519133 -1.405364
C 3.394339 0.838147 -1.188855
C -1.903495 -2.730238 -1.478632
C -2.231049 3.529002 -0.354825
C 3.788311 0.038513 -0.020750
C -2.210023 -3.487163 -0.193757
C -1.906734 4.895806 -0.587045
C 4.954123 -0.779606 -0.076806
C -2.741595 3.139122 0.915779
C 3.015764 0.070854 1.177077
C -1.168942 -4.143067 0.515378
C -3.524535 -3.538898 0.334578
C -2.114430 5.855651 0.423528
C 5.356529 -1.526152 1.047338
C -2.947269 4.102346 1.923489
C 3.422945 -0.679268 2.298187
C -2.637454 5.461848 1.678779
C 4.592694 -1.474627 2.238812
C -1.436393 -4.831842 1.718457
C -3.796966 -4.226053 1.540638
C -2.752504 -4.875351 2.237087
H 0.307691 1.036586 -3.440757
H -1.735025 -0.335185 -3.004179
H -0.386203 -1.449260 -3.284013
H -0.129855 -1.701921 -0.733867
H -1.630307 -0.781377 -0.523252
H -1.926103 2.896946 -2.435773
H -2.579026 1.589121 -1.318557
H 4.160894 1.003738 -1.961444
H 2.754095 1.719507 -1.025242
H -1.321687 -3.376518 -2.166257
H -2.848667 -2.474511 -1.998879
H -1.486953 5.195920 -1.553708
H 5.539786 -0.822597 -1.003009
H -2.965150 2.083875 1.108774
H 2.094857 0.665347 1.209548
H -0.146041 -4.114192 0.119038
H -4.341105 -3.042033 -0.204923
H -1.864702 6.905798 0.239228
H 6.256558 -2.148466 0.999292
H -3.341109 3.797320 2.898686
H 2.827173 -0.650205 3.216835
H -2.797378 6.209294 2.463736
H 4.904987 -2.056307 3.113625
H -0.621403 -5.336143 2.250251
H -4.820332 -4.258354 1.932218
H -2.960727 -5.411657 3.169849


