%chk=000230379.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000230379

0 1
S 4.347023 0.810235 -1.338225
S -4.349542 0.819507 1.324190
O 3.005703 0.908149 -0.307029
O -3.008413 0.905970 0.291729
O 4.361456 2.033889 -2.099598
O 4.213834 -0.439096 -2.048398
O -4.366443 2.053461 2.068707
O -4.213850 -0.419700 2.051426
C 6.299720 -0.503532 0.152225
C -6.299498 -0.518543 -0.148142
C 5.577441 0.845341 -0.112655
C -5.580036 0.835320 0.098298
C 5.297889 -1.617006 0.549499
C -5.295330 -1.635243 -0.530164
C 7.319592 -0.279357 1.286487
C 7.052618 -0.942673 -1.116225
C -7.319799 -0.312003 -1.285356
C -7.051515 -0.941894 1.126184
C 4.378879 -1.268206 1.714741
C -4.377053 -1.300480 -1.700091
C 0.721040 0.905132 0.242555
C -0.723741 0.900594 -0.257791
C 1.703224 0.894655 -0.929735
C -1.705916 0.903542 0.914547
H 5.146219 1.200608 0.853925
H 6.342165 1.618615 -0.347712
H -5.149554 1.178268 -0.873052
H -6.346380 1.610119 0.322816
H 4.681613 -1.897423 -0.334954
H 5.870995 -2.533384 0.794930
H -4.678479 -1.902234 0.358032
H -5.866508 -2.556095 -0.763017
H 6.832525 0.039501 2.214168
H 7.864624 -1.202806 1.513413
H 8.064413 0.477853 1.023347
H 6.364357 -1.203341 -1.936449
H 7.732243 -0.169596 -1.485169
H 7.657756 -1.837065 -0.929714
H -6.833379 -0.004784 -2.217295
H -7.862860 -1.239613 -1.499686
H -8.066229 0.447143 -1.032558
H -6.362731 -1.189878 1.949897
H -7.732775 -0.165278 1.484526
H -7.654758 -1.840025 0.951908
H 4.934863 -0.905749 2.585689
H 3.641843 -0.499674 1.438298
H 3.809296 -2.149156 2.035346
H -4.933785 -0.951022 -2.575860
H -3.641562 -0.526774 -1.434158
H -3.805706 -2.184559 -2.008717
H 0.918347 0.028837 0.893278
H 0.918218 1.793479 0.877034
H -0.922500 1.780281 -0.903737
H -0.919470 0.015580 -0.897095
H 1.613360 -0.020983 -1.544907
H 1.611610 1.796688 -1.563964
H -1.616231 1.814087 1.536770
H -1.614124 -0.003679 1.541788


%chk=000230379-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000230379

0 1
S 4.501091 0.638473 -1.330796
S -4.562811 0.749446 1.346839
O 3.051863 0.638531 -0.122432
O -3.107533 0.776147 0.146336
O 4.443306 1.994202 -2.218245
O 4.502216 -0.782694 -2.117216
O -4.566143 2.119789 2.212833
O -4.512343 -0.659049 2.154823
C 6.837713 -0.334108 0.195614
C -6.822833 -0.354495 -0.209375
C 5.840404 0.828984 0.086968
C -5.899311 0.866460 -0.081138
C 6.151681 -1.689221 0.565202
C -6.051568 -1.664359 -0.573685
C 7.815975 0.107392 1.332824
C 7.645076 -0.503806 -1.118931
C -7.809914 0.033102 -1.358183
C -7.637074 -0.579299 1.092855
C 5.228095 -1.677935 1.803881
C -5.131945 -1.600843 -1.813436
C 0.689035 0.712700 0.307882
C -0.745202 0.683306 -0.278193
C 1.739402 0.609030 -0.807713
C -1.797128 0.788358 0.835872
H 5.194425 0.949319 0.970068
H 6.311136 1.781854 -0.208303
H -5.253271 1.033661 -0.956693
H -6.430277 1.786667 0.215610
H 5.575808 -2.036362 -0.313179
H 6.965265 -2.425215 0.721670
H -5.455000 -1.971673 0.305902
H -6.817389 -2.450747 -0.726418
H 7.293082 0.304851 2.285716
H 8.549622 -0.700594 1.508125
H 8.375346 1.018610 1.050659
H 6.997961 -0.852431 -1.943271
H 8.125529 0.445243 -1.423845
H 8.443244 -1.253975 -0.973288
H -7.286912 0.276535 -2.300308
H -8.484834 -0.820122 -1.554216
H -8.433727 0.901335 -1.075707
H -6.980671 -0.884928 1.926713
H -8.184211 0.335328 1.390456
H -8.381055 -1.380833 0.934562
H 5.752833 -1.344360 2.718066
H 4.344444 -1.032096 1.649254
H 4.851025 -2.698583 1.997343
H -5.678345 -1.308800 -2.729056
H -4.292492 -0.897327 -1.664198
H -4.688986 -2.595966 -2.000432
H 0.830246 -0.126940 1.014679
H 0.853487 1.650521 0.871083
H -0.885095 1.522789 -0.985345
H -0.910449 -0.254590 -0.841293
H 1.630770 -0.338812 -1.369993
H 1.662946 1.465986 -1.505859
H -1.682873 1.731441 1.404816
H -1.728933 -0.073896 1.528395


