%chk=000216267.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000216267

0 1
S 4.407944 -4.461538 0.033160
S -6.747071 -0.884906 0.408374
O 2.315874 4.093656 2.275197
O 3.807529 4.885999 -0.077302
O 4.705632 -4.490150 1.454250
O 4.096621 -5.683112 -0.687130
O -7.697507 -0.260168 -0.493796
O -6.685066 -2.327484 0.545550
N 0.270516 -0.403587 -1.099077
N -1.362754 1.312180 -0.663644
N 5.842608 -3.856750 -0.712075
N -7.152591 -0.297814 1.977092
C -0.087293 0.732047 -0.196214
C 0.965640 1.833418 -0.209427
C 1.259473 -1.336844 -0.805071
C -2.618860 0.757733 -0.394512
C 1.223757 2.506644 0.994028
C 1.650321 2.180951 -1.375895
C 2.179059 3.530364 1.033230
C 2.051537 -1.250594 0.367350
C -2.768302 -0.471602 0.289006
C 1.461928 -2.409403 -1.717478
C -3.765798 1.467405 -0.838326
C 3.218471 -3.279063 -0.285841
C -5.180936 -0.263259 0.105425
C 2.608685 3.201517 -1.351847
C 2.875662 3.873997 -0.158200
C 3.014698 -2.220842 0.611358
C -4.045422 -0.965696 0.530504
C 2.431141 -3.362565 -1.445400
C -5.028044 0.949751 -0.582722
C 3.306050 5.142833 2.443558
H -0.211198 0.315981 0.849758
H -0.246160 -0.480008 -1.973204
H -1.307266 2.176885 -1.199260
H 0.693631 2.255620 1.914393
H 1.457321 1.654034 -2.310023
H 1.927493 -0.428913 1.066524
H -1.901071 -1.040993 0.614213
H 0.856665 -2.490654 -2.615524
H -3.662990 2.409130 -1.370114
H 3.144911 3.463200 -2.261851
H 3.620103 -2.160128 1.524897
H -4.161080 -1.925307 1.050651
H 2.577538 -4.198742 -2.140985
H -5.916468 1.492341 -0.931615
H 4.256692 5.031377 -0.949849
H 6.215357 -4.370625 -1.506875
H 6.612992 -3.586566 -0.105358
H -7.254654 -0.976911 2.727854
H -7.898706 0.389697 2.050685
H 3.056683 5.999872 1.809416
H 4.304866 4.758793 2.212590
H 3.197540 5.379198 3.508751


%chk=000216267-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000216267

0 1
S 4.119519 -4.851901 -0.005914
S -6.604162 -1.074713 0.572634
O 1.628836 5.036234 1.780829
O 3.809562 5.281172 -0.111397
O 4.452479 -4.808444 1.590286
O 3.535860 -6.169229 -0.769630
O -7.718891 -0.353840 -0.374151
O -6.399222 -2.690603 0.650613
N 0.415855 -0.223586 -1.258839
N -1.230585 1.427051 -0.709701
N 5.704981 -4.442320 -0.873155
N -6.986435 -0.496648 2.286907
C 0.073278 0.876548 -0.335052
C 1.108990 2.010684 -0.295736
C 1.279710 -1.273334 -0.957080
C -2.457261 0.826768 -0.404837
C 0.995124 2.998892 0.711389
C 2.166155 2.094018 -1.226991
C 1.897468 4.081285 0.794018
C 2.102608 -1.253129 0.211847
C -2.533708 -0.486386 0.150287
C 1.343311 -2.404121 -1.830525
C -3.664617 1.542156 -0.670852
C 2.996220 -3.418140 -0.393175
C -4.945832 -0.310347 0.194550
C 3.077754 3.169113 -1.158493
C 2.946775 4.171236 -0.171538
C 2.958719 -2.332824 0.496579
C -3.784787 -1.054712 0.456386
C 2.204112 -3.477473 -1.555122
C -4.914385 0.977550 -0.370471
C 2.750747 5.588859 2.572676
H -0.005593 0.440814 0.688353
H -0.154929 -0.278563 -2.103605
H -1.233320 2.388044 -1.052985
H 0.198757 2.955061 1.463311
H 2.278062 1.324022 -1.995353
H 2.096675 -0.389139 0.881897
H -1.626838 -1.071155 0.325720
H 0.704174 -2.437754 -2.720713
H -3.615344 2.545869 -1.109202
H 3.895165 3.236774 -1.888839
H 3.577403 -2.339838 1.399752
H -3.859356 -2.069124 0.861377
H 2.241058 -4.357185 -2.205317
H -5.845670 1.510631 -0.585850
H 4.471197 5.248117 -0.846356
H 5.900118 -5.219217 -1.528269
H 6.435203 -4.341536 -0.147070
H -6.954294 -1.319394 2.912892
H -7.920479 -0.052967 2.255620
H 3.446464 6.155524 1.935245
H 3.290755 4.774309 3.091961
H 2.268315 6.247289 3.310291


