%chk=000225966.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000225966

0 1
S 4.713198 0.140959 -0.850686
S -4.818451 -0.015437 0.293106
O 0.037203 -1.272714 0.820984
O -0.708543 -1.559008 -1.296705
C 2.232237 -0.718467 -0.048223
C 1.336146 -1.841190 0.474909
C 3.668125 -1.194549 -0.194257
C -2.130886 -0.500418 0.407039
C -3.388360 -0.952928 -0.316437
C -0.910960 -1.164125 -0.173913
C 5.006041 1.194306 0.613514
C -4.779458 1.501075 -0.726056
C 5.861030 2.348927 0.136123
C -5.918139 2.367731 -0.232483
H 1.838851 -0.356137 -1.024039
H 2.163984 0.152765 0.635270
H 1.664677 -2.246762 1.448172
H 1.195333 -2.653039 -0.260689
H 3.744810 -2.025905 -0.925884
H 4.077776 -1.572442 0.759538
H -2.198925 -0.705765 1.501067
H -1.993062 0.602879 0.338616
H -3.603167 -2.024535 -0.121695
H -3.280507 -0.858496 -1.415702
H 5.514508 0.611411 1.402634
H 4.043770 1.545399 1.027877
H -4.900704 1.240054 -1.793708
H -3.804685 2.009499 -0.618832
H 6.823247 2.011449 -0.275151
H 5.363721 2.938742 -0.647139
H 6.088568 3.037447 0.961412
H -6.894467 1.873565 -0.340970
H -5.807812 2.638035 0.827306
H -5.970897 3.307370 -0.799895


%chk=000225966-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000225966

0 1
S 4.745753 0.259529 -1.081353
S -5.069698 -0.162936 0.272542
O 0.016921 -1.227795 0.971936
O -0.784162 -1.633410 -1.184304
C 2.216607 -0.600265 -0.016681
C 1.360989 -1.738977 0.563076
C 3.631411 -1.095902 -0.372979
C -2.253009 -0.590119 0.516260
C -3.491742 -1.044308 -0.277324
C -0.969177 -1.205722 -0.021161
C 5.127616 1.220066 0.511932
C -4.854117 1.474840 -0.666781
C 6.184008 2.293535 0.210296
C -6.063936 2.378548 -0.387592
H 1.731237 -0.198895 -0.924065
H 2.273091 0.219740 0.723326
H 1.785876 -2.139438 1.498633
H 1.223013 -2.550314 -0.174550
H 3.596444 -1.867283 -1.162635
H 4.148137 -1.526096 0.505078
H -2.353269 -0.827709 1.588651
H -2.142594 0.510962 0.453511
H -3.689016 -2.118361 -0.125284
H -3.354573 -0.877010 -1.358356
H 5.496340 0.493410 1.258095
H 4.193275 1.675615 0.882288
H -4.770556 1.234581 -1.741226
H -3.917129 1.952887 -0.330701
H 7.120443 1.837884 -0.156920
H 5.824211 3.004059 -0.555337
H 6.415682 2.868291 1.126067
H -7.003329 1.897936 -0.713672
H -6.150653 2.608698 0.689207
H -5.959893 3.333653 -0.934875


