%chk=000298578.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000298578

0 1
S -1.519199 1.483256 1.052013
O 0.074324 0.834430 -1.104852
O -1.440062 0.743901 2.344218
C 0.132559 1.258188 0.281050
C 0.678265 -0.095700 -0.125852
C 1.029027 2.415471 0.627399
C 2.156598 -0.286357 -0.271782
C -0.070101 -1.373030 0.077795
C 0.636995 3.695820 -0.126032
C -2.574644 0.529277 -0.082583
C 2.797900 0.067255 -1.467026
C -0.342969 -2.185662 -1.033349
C 2.893583 -0.826188 0.791856
C -0.456169 -1.781419 1.361188
C -3.936074 1.207413 -0.125189
C 1.627997 4.824967 0.141446
C 4.175772 -0.123159 -1.598051
C -1.001054 -3.404898 -0.857492
C 4.271842 -1.011116 0.654780
C -1.111917 -3.004577 1.529625
C -4.878519 0.487643 -1.105296
C 4.913303 -0.661620 -0.538416
C -1.382921 -3.816736 0.424243
C -6.250027 1.155541 -1.157991
H 2.087824 2.164899 0.390208
H 1.018006 2.588023 1.725208
H -0.381870 4.018338 0.164287
H 0.592230 3.479754 -1.213906
H -2.105627 0.482045 -1.087997
H -2.661033 -0.523353 0.252600
H 2.212383 0.494479 -2.283310
H -0.040438 -1.860076 -2.028424
H 2.391543 -1.104407 1.718591
H -0.279823 -1.131166 2.227656
H -4.396766 1.215985 0.884907
H -3.838412 2.269993 -0.425936
H 1.340826 5.737119 -0.394389
H 2.641248 4.561149 -0.183984
H 1.680876 5.074557 1.207620
H 4.674699 0.148262 -2.526814
H -1.213431 -4.036123 -1.718254
H 4.846352 -1.430748 1.479103
H -1.416047 -3.318793 2.527357
H -4.428980 0.471764 -2.117443
H -4.989378 -0.573786 -0.807381
H 5.986681 -0.809862 -0.642348
H -1.892289 -4.769169 0.560143
H -6.181443 2.198455 -1.487502
H -6.739221 1.153087 -0.176881
H -6.916118 0.635175 -1.855813


%chk=000298578-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000298578

0 1
S -1.564538 1.625438 1.080282
O 0.113979 0.883786 -1.198251
O -1.478531 0.979400 2.632798
C 0.209232 1.275427 0.221546
C 0.714937 -0.105703 -0.153803
C 1.093716 2.449917 0.605978
C 2.206024 -0.304560 -0.343814
C -0.059027 -1.373167 0.095924
C 0.766714 3.737871 -0.188538
C -2.744964 0.510010 0.020169
C 2.913267 0.359068 -1.377987
C -0.149331 -2.327273 -0.951149
C 2.909911 -1.176053 0.527963
C -0.608001 -1.671663 1.367867
C -4.064596 1.259171 -0.208146
C 1.684673 4.909341 0.218324
C 4.302014 0.156453 -1.536436
C -0.794484 -3.562930 -0.736268
C 4.300402 -1.365865 0.375733
C -1.239877 -2.919717 1.582001
C -5.070510 0.396461 -1.012248
C 5.002057 -0.701808 -0.657633
C -1.335970 -3.866101 0.536910
C -6.403818 1.133959 -1.262265
H 2.152825 2.177698 0.442505
H 0.972342 2.626752 1.693836
H -0.291308 4.021140 -0.025362
H 0.875701 3.527542 -1.269782
H -2.197179 0.313578 -0.917070
H -2.861135 -0.416790 0.603456
H 2.361359 1.015163 -2.059000
H 0.285947 -2.095784 -1.930203
H 2.368323 -1.705790 1.319039
H -0.589509 -0.918365 2.167314
H -4.521645 1.535543 0.763279
H -3.878157 2.203702 -0.756928
H 1.452319 5.819412 -0.363826
H 2.748666 4.660295 0.045669
H 1.566475 5.154502 1.290397
H 4.836097 0.666322 -2.346113
H -0.868157 -4.290320 -1.552439
H 4.834247 -2.036182 1.058476
H -1.665017 -3.143090 2.566920
H -4.615922 0.108058 -1.981227
H -5.263245 -0.546356 -0.462386
H 6.080075 -0.856023 -0.778963
H -1.827750 -4.830272 0.709699
H -6.242132 2.064305 -1.838488
H -6.889956 1.409485 -0.307652
H -7.110242 0.502316 -1.831107


