%chk=000183795.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000183795

0 1
S -4.891383 -0.448410 0.048378
F 1.128125 -0.383989 -1.521598
O -0.011551 -2.019825 1.412029
O 2.406260 2.415439 1.649571
O -5.352703 0.405427 1.130974
O -4.581389 -1.839983 0.338268
O 6.044631 -0.750864 -1.195119
C -2.131651 -0.068618 0.001765
C -1.209827 1.063232 -0.556163
C 0.165882 1.038278 0.116759
C 0.850465 -0.330381 -0.169734
C -3.473388 0.280115 -0.714755
C -1.522597 -1.417940 -0.408349
C -2.077673 2.326726 -0.435491
C -0.065875 -1.586012 0.054925
C 2.251316 -0.410120 0.540396
C -3.521394 1.826326 -0.696830
C 1.035951 2.211032 -0.362878
C -2.316108 -0.010819 1.523800
C 2.451727 2.160329 0.228650
C 3.078260 0.784855 0.076039
C 2.148278 -0.340232 2.073346
C 2.916464 -1.735240 0.214242
C 4.294173 0.661757 -0.470578
C -6.106267 -0.416846 -1.218920
C 4.126650 -1.845951 -0.338316
C 4.933939 -0.658584 -0.714331
H -1.058051 0.880967 -1.652395
H 0.051465 1.129413 1.229101
H -3.391449 -0.064481 -1.772305
H -1.573262 -1.554174 -1.505041
H -2.134120 -2.252519 0.012534
H -1.779861 3.100999 -1.158946
H -1.994602 2.782344 0.566008
H 0.388030 -2.467668 -0.471165
H -4.197912 2.204767 0.097309
H -3.904703 2.216464 -1.653705
H 0.550471 3.165534 -0.082212
H 1.100519 2.224549 -1.469882
H -2.894369 -0.870759 1.901014
H -1.352356 -0.020903 2.054247
H -2.850032 0.892658 1.850751
H 3.092080 2.948464 -0.234648
H 1.630152 -1.215334 2.487848
H 3.148092 -0.302092 2.527368
H 1.628556 0.570189 2.407303
H 2.335868 -2.616064 0.508649
H -0.567079 -1.442655 1.994383
H 4.899861 1.515303 -0.779054
H -6.128355 0.509404 -1.802308
H -6.010174 -1.247141 -1.931346
H -7.124849 -0.516301 -0.807537
H 4.598287 -2.808048 -0.543896
H 2.200576 3.356082 1.815845


%chk=000183795-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000183795

0 1
S -5.035096 -0.503498 -0.060034
F 1.040984 -0.351846 -1.502248
O -0.060568 -1.895901 1.636095
O 2.621592 2.618165 1.559906
O -5.768767 0.470231 1.035140
O -4.660660 -2.055318 0.326510
O 6.005451 -0.889022 -1.471839
C -2.150390 -0.017591 0.097577
C -1.217498 1.140791 -0.394979
C 0.187784 1.099601 0.241856
C 0.844322 -0.287744 -0.010905
C -3.406521 0.387770 -0.711707
C -1.508606 -1.352923 -0.336779
C -2.085597 2.416555 -0.238852
C -0.070311 -1.536705 0.205430
C 2.305297 -0.384713 0.589612
C -3.533609 1.928616 -0.607912
C 1.072738 2.223533 -0.353052
C -2.431033 0.039603 1.625970
C 2.535321 2.183337 0.138458
C 3.115868 0.782431 0.018172
C 2.317893 -0.278328 2.164715
C 2.920438 -1.735170 0.268084
C 4.302988 0.591333 -0.627741
C -6.188749 -0.586738 -1.589810
C 4.110255 -1.903322 -0.372522
C 4.889609 -0.747396 -0.869955
H -1.064044 0.976955 -1.484666
H 0.111487 1.241991 1.336181
H -3.360814 0.012167 -1.751488
H -1.452486 -1.386001 -1.442968
H -2.135195 -2.210503 -0.020362
H -1.755729 3.234217 -0.902332
H -2.050737 2.794951 0.799059
H 0.399482 -2.360765 -0.370099
H -4.269064 2.199100 0.172383
H -3.881335 2.362706 -1.561302
H 0.634367 3.209583 -0.104152
H 1.072647 2.128230 -1.455703
H -3.053249 -0.822544 1.925871
H -1.493589 -0.006444 2.200380
H -2.980175 0.952275 1.912553
H 3.145093 2.871545 -0.482550
H 1.754346 -1.113288 2.603884
H 3.367799 -0.314624 2.501883
H 1.900287 0.681134 2.501929
H 2.381894 -2.601986 0.672595
H -0.839186 -2.481397 1.814608
H 4.881841 1.441130 -1.011328
H -6.340455 0.443041 -1.942487
H -5.700987 -1.233607 -2.332058
H -7.118919 -1.028806 -1.206646
H 4.545459 -2.895864 -0.535329
H 2.381224 3.579754 1.596955


