%chk=000105239.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000105239

0 1
S 2.468503 0.363613 0.462683
F -2.375460 -0.083357 1.971394
F -1.597527 1.850200 1.724475
F 0.306447 -0.040735 2.248940
F -0.241220 -1.213618 0.597193
F -1.858676 1.757825 -0.996235
F -3.634666 1.486286 0.082688
F -1.674861 -0.920458 -1.599150
F -3.413966 0.054190 -2.249175
F -3.784148 -2.536083 -1.464870
F -3.056990 -2.178710 0.473821
F -5.216554 -0.560474 1.098546
F -5.932620 -2.277343 0.086400
F -5.824955 -0.420982 -0.930337
O 2.570351 -0.088599 1.824948
O 2.868009 -0.478116 -0.637916
O 5.815677 0.272327 0.642293
O 6.025371 0.504659 -1.597082
N 3.252998 1.900674 0.354886
C -1.652188 0.649868 1.096986
C -0.188339 0.079626 0.995716
C -2.483961 0.841146 -0.217276
C 0.770228 0.864452 0.140105
C -2.824446 -0.397201 -1.116141
C -3.702779 -1.556326 -0.534124
C 4.377578 2.112917 1.299352
C 3.502326 2.379728 -1.028089
C -5.156353 -1.199818 -0.073775
C 5.774287 1.714671 0.803830
C 5.930030 -0.237379 -0.644318
C 5.931620 -1.710196 -0.561308
C 5.813213 -2.457974 -1.657667
H 0.663512 1.962019 0.309252
H 0.558029 0.739824 -0.946036
H 4.391996 3.198986 1.561559
H 4.151923 1.565374 2.252830
H 4.189220 1.730080 -1.612492
H 3.941781 3.391770 -1.006766
H 2.550126 2.456558 -1.576093
H 6.063177 2.213178 -0.141091
H 6.543439 1.904379 1.576099
H 6.001324 -2.121558 0.450045
H 5.793225 -3.541526 -1.631379
H 5.717917 -2.038596 -2.656219


%chk=000105239-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000105239

0 1
S 2.515811 0.450649 -0.721575
F -2.110786 0.478096 1.944628
F -1.429713 2.364457 0.849429
F 0.592475 0.789876 1.694633
F -0.224912 -1.053655 0.619274
F -2.149988 1.387183 -1.567906
F -3.817068 1.457826 -0.003252
F -1.999070 -1.331920 -1.429905
F -4.045747 -0.457789 -1.925510
F -4.111104 -2.843170 -0.654936
F -2.862700 -2.087659 1.102180
F -4.872473 -0.325120 1.849469
F -5.679001 -2.407712 1.478154
F -6.067508 -0.762614 -0.033982
O 2.831006 -0.848496 0.200202
O 2.895081 0.488427 -2.307349
O 5.560892 0.670726 -0.187201
O 6.697559 -0.936527 1.084698
N 3.047312 2.078512 0.195074
C -1.575658 0.953908 0.729892
C -0.123087 0.362144 0.535564
C -2.658954 0.750691 -0.398651
C 0.582979 0.792463 -0.734636
C -3.127239 -0.679711 -0.872159
C -3.801362 -1.703602 0.123672
C 3.952219 1.724209 1.327491
C 3.592196 3.035355 -0.807515
C -5.127668 -1.281673 0.861713
C 5.447271 1.561723 0.988637
C 6.166986 -0.596125 0.003755
C 6.072566 -1.374613 -1.253826
C 6.663906 -2.591835 -1.368254
H 0.528586 1.879175 -0.887356
H 0.238160 0.230585 -1.614749
H 3.830467 2.536148 2.071995
H 3.563995 0.795433 1.781940
H 4.524509 2.698448 -1.297215
H 3.777354 3.981649 -0.265508
H 2.837723 3.227986 -1.587835
H 5.916688 2.515688 0.694647
H 5.992860 1.122904 1.843284
H 5.493348 -0.919101 -2.063392
H 6.589257 -3.176439 -2.290830
H 7.225429 -3.021202 -0.530287


