%chk=000298281.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000298281

0 1
S 2.434704 -1.820280 0.109450
O 0.401823 -0.266359 -0.887984
O -0.756753 1.384002 0.295128
O 2.489104 2.746229 -0.566367
O 0.806204 4.560384 0.973648
C 1.297226 1.981849 -0.812264
C 1.633862 0.471844 -0.937644
C 0.399307 2.236557 0.419846
C -0.440557 -0.024165 0.253720
C 2.625004 -0.012226 0.111865
C -0.177715 3.661748 0.459919
C -1.731017 -0.756951 -0.008990
C -1.697341 -2.005728 -0.644764
C -2.950536 -0.203695 0.403631
C 3.909988 -2.348472 1.053944
C -2.888323 -2.705467 -0.856018
C -4.137261 -0.909794 0.189385
C -4.106648 -2.160130 -0.437354
C 3.820962 -3.856104 1.158446
H 0.806411 2.340172 -1.743880
H 1.983522 0.222710 -1.970472
H 0.942334 2.007980 1.365001
H 0.077801 -0.318658 1.188265
H 2.425117 0.402809 1.116133
H 3.654439 0.297022 -0.143826
H -1.014020 3.735134 1.183155
H -0.519355 4.009377 -0.530307
H 3.021658 2.820863 -1.383984
H -0.742217 -2.416800 -0.979113
H -2.965877 0.778372 0.879441
H 1.656187 4.450319 0.474229
H 4.829312 -2.031615 0.529677
H 3.913381 -1.871898 2.050660
H -2.866081 -3.675407 -1.349414
H -5.086361 -0.483618 0.509059
H -5.032656 -2.708324 -0.601862
H 2.912050 -4.184066 1.683023
H 3.819484 -4.342609 0.172559
H 4.676539 -4.262705 1.715255


%chk=000298281-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000298281

0 1
S 2.573147 -2.044620 -0.040896
O 0.238751 -0.244849 -1.043594
O -0.905409 1.501809 0.181655
O 2.533320 2.720160 -0.556687
O 1.134649 4.479691 1.112804
C 1.290996 1.947162 -0.777402
C 1.562362 0.422260 -0.924833
C 0.353497 2.243291 0.416651
C -0.646001 0.063686 0.091832
C 2.450520 -0.169025 0.182338
C 0.009138 3.735771 0.545381
C -1.947213 -0.681254 -0.112544
C -1.907752 -2.028522 -0.548161
C -3.189052 -0.066564 0.171541
C 4.085214 -2.335002 1.072960
C -3.108889 -2.754472 -0.702586
C -4.388726 -0.797510 0.016473
C -4.352444 -2.141971 -0.419096
C 4.388579 -3.839016 1.132579
H 0.778329 2.288248 -1.700384
H 2.032645 0.212697 -1.903429
H 0.822186 1.909728 1.367636
H -0.136465 -0.254187 1.031238
H 2.077168 0.045004 1.197497
H 3.464751 0.257463 0.092112
H -0.830295 3.856367 1.249041
H -0.295656 4.141221 -0.443547
H 3.051425 2.769269 -1.398169
H -0.941745 -2.490423 -0.776613
H -3.205526 0.975995 0.501265
H 1.943899 4.213156 0.594088
H 4.933880 -1.769282 0.649186
H 3.851439 -1.934830 2.075263
H -3.075285 -3.795237 -1.043713
H -5.349403 -0.317509 0.234578
H -5.283869 -2.707313 -0.537463
H 3.535846 -4.401048 1.552828
H 4.605573 -4.243545 0.127887
H 5.270118 -4.024498 1.773482


