%chk=000284339.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000284339

0 1
S -0.423325 -0.305121 1.884190
O -0.487059 -1.547424 2.647010
O -0.622678 0.919576 2.660967
C 1.022500 -0.188232 0.934448
C 1.903128 -1.278214 0.763139
C 1.312935 1.031275 0.277333
C 1.738993 -2.639635 1.427037
C 0.465279 2.294121 0.400317
C 3.282527 0.037964 -0.764017
C 4.478690 0.173256 -1.689734
C 3.011798 -1.154097 -0.091130
C 2.426030 1.126161 -0.569501
C 3.049828 -3.097699 2.080942
C 1.245451 -3.652511 0.385531
C -0.331084 2.498785 -0.894880
C 1.342676 3.513861 0.716813
C 4.374234 -0.825882 -2.848031
C 5.781172 -0.011144 -0.902194
C -1.674096 -0.380109 0.680727
C -2.724010 0.440431 0.706323
C -3.819632 0.406086 -0.281055
C -4.315736 1.615101 -0.798873
C -4.379565 -0.811327 -0.699093
C -5.352069 1.600785 -1.734534
C -5.423332 -0.818161 -1.628717
C -5.907984 0.385354 -2.149588
H 0.974675 -2.609626 2.261456
H -0.264952 2.225276 1.257080
H 4.485522 1.206032 -2.127401
H 3.676962 -2.006654 -0.229688
H 2.628691 2.066728 -1.081206
H 3.439279 -2.331060 2.761335
H 2.885135 -4.005713 2.673330
H 3.830820 -3.322359 1.347401
H 1.949598 -3.770238 -0.444489
H 1.107307 -4.639012 0.844718
H 0.278490 -3.353345 -0.032558
H 0.324965 2.643877 -1.760637
H -0.972764 3.383783 -0.821293
H -0.974528 1.638334 -1.112760
H 1.953035 3.332911 1.610925
H 0.721617 4.393543 0.921580
H 2.019107 3.771830 -0.104276
H 4.415888 -1.863643 -2.498325
H 5.193989 -0.688878 -3.561790
H 3.432271 -0.703131 -3.394926
H 5.842200 0.694451 -0.065029
H 6.655797 0.153636 -1.540734
H 5.866931 -1.020143 -0.483071
H -1.565655 -1.152567 -0.081586
H -2.825499 1.219341 1.481133
H -3.889321 2.563472 -0.474030
H -4.006737 -1.750010 -0.289164
H -5.731237 2.538303 -2.138946
H -5.859374 -1.764315 -1.946669
H -6.719484 0.377776 -2.875608


%chk=000284339-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000284339

0 1
S -0.427951 0.460934 1.820539
O -0.149248 -0.426132 3.171248
O -0.936961 2.006845 2.043538
C 1.127762 0.328296 0.655311
C 1.689521 -0.975205 0.521756
C 1.655811 1.486360 0.016604
C 1.151219 -2.274170 1.152072
C 1.107468 2.916979 0.144739
C 3.436533 0.026184 -0.927373
C 4.696678 -0.124207 -1.782800
C 2.851273 -1.084184 -0.281961
C 2.821851 1.284811 -0.768142
C 2.164918 -2.848813 2.176542
C 0.791657 -3.318438 0.060779
C 1.196543 3.722904 -1.175374
C 1.848061 3.658941 1.293555
C 4.442195 -1.036758 -3.012577
C 5.897260 -0.643744 -0.947970
C -1.795611 -0.375372 0.823530
C -2.877168 0.369763 0.496619
C -4.078303 -0.083873 -0.226802
C -5.116481 0.859088 -0.468571
C -4.246687 -1.419062 -0.693528
C -6.288901 0.482770 -1.156983
C -5.416813 -1.793547 -1.381494
C -6.442931 -0.845095 -1.616712
H 0.243792 -2.061248 1.739562
H 0.047345 2.867859 0.440690
H 4.963794 0.882423 -2.162788
H 3.305620 -2.074846 -0.396998
H 3.261159 2.152896 -1.271155
H 2.336845 -2.124448 2.990792
H 1.765229 -3.777795 2.623344
H 3.136337 -3.087106 1.705192
H 1.682492 -3.648591 -0.504562
H 0.344984 -4.214397 0.530426
H 0.068190 -2.911745 -0.671178
H 2.237183 3.981191 -1.446851
H 0.648579 4.675308 -1.054834
H 0.745664 3.172933 -2.021654
H 1.690265 3.149559 2.259419
H 1.458770 4.689319 1.388694
H 2.935513 3.715625 1.095929
H 4.183691 -2.065175 -2.698232
H 5.347722 -1.095305 -3.644436
H 3.611564 -0.653289 -3.632013
H 6.105330 0.019410 -0.089388
H 6.807222 -0.698006 -1.573673
H 5.700222 -1.657474 -0.552246
H -1.601154 -1.435733 0.649995
H -2.852543 1.425272 0.814233
H -4.998104 1.888648 -0.109948
H -3.463381 -2.164636 -0.516648
H -7.079142 1.220416 -1.333273
H -5.535390 -2.823632 -1.735235
H -7.352090 -1.140908 -2.151505


