%chk=000256937.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000256937

0 1
S -1.387605 -0.099861 1.479922
O -1.029499 1.229651 1.042691
O -0.743518 -0.661786 2.659297
O -3.584637 0.215403 -0.315907
O 3.574424 1.347170 2.012222
O 2.740096 1.605590 -2.575449
O 4.145211 2.324087 -0.500960
O -4.955119 1.335959 1.100825
C -1.221358 -1.257849 0.144241
C 0.230958 -1.793518 0.116689
C -2.215149 -2.419779 0.282954
C 0.413219 -2.850325 -0.992759
C -2.018359 -3.476482 -0.815710
C -0.579610 -4.004725 -0.827160
C 1.235490 -0.665311 -0.051565
C -3.121692 -0.012162 1.949989
C 1.471978 -0.087789 -1.304826
C 1.921838 -0.221334 1.083315
C -4.005113 0.614219 0.937950
C 2.861357 0.814013 0.967131
C 2.413763 0.946175 -1.416848
C 3.139516 1.400408 -0.289981
C -4.280323 0.762353 -1.484064
C 3.235829 0.898474 3.351027
C 2.060100 1.204521 -3.790021
C 3.951398 3.578713 0.209872
C -5.594356 0.039518 -1.684936
H -1.426204 -0.734356 -0.827683
H 0.425380 -2.306676 1.100452
H -2.101715 -2.907553 1.273040
H -3.255857 -2.038676 0.213029
H 0.286406 -2.386521 -1.990120
H 1.453363 -3.230152 -0.965983
H -2.728642 -4.310585 -0.660693
H -2.266633 -3.041538 -1.803235
H -0.448710 -4.736893 -1.646207
H -0.369309 -4.556940 0.109431
H -3.518154 -1.002364 2.257230
H -3.196950 0.573072 2.902545
H 0.920906 -0.429327 -2.172598
H 1.703976 -0.663124 2.055961
H -4.407762 1.850113 -1.333519
H -3.539635 0.561426 -2.279215
H 2.176169 1.081320 3.560674
H 3.495407 -0.157229 3.468727
H 3.880280 1.536690 3.967310
H 2.286244 0.161752 -4.027873
H 0.985282 1.383809 -3.702415
H 2.513496 1.882078 -4.526116
H 3.011850 4.043257 -0.096763
H 3.978494 3.399608 1.290743
H 4.816386 4.160315 -0.123593
H -6.073563 0.335940 -2.626513
H -6.302922 0.269458 -0.873814
H -5.463623 -1.049137 -1.705339


%chk=000256937-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000256937

0 1
S -1.404750 -0.149002 1.503717
O -1.007228 1.371101 1.071372
O -0.756000 -0.832520 2.849602
O -4.006936 0.177386 -0.368754
O 3.596908 1.436507 2.068487
O 2.839398 1.562577 -2.646572
O 4.135520 2.471746 -0.468319
O -4.712829 1.790993 1.174137
C -1.091849 -1.459754 -0.010617
C 0.386226 -1.889991 0.114918
C -2.100685 -2.602304 0.137103
C 0.654096 -3.045869 -0.903987
C -1.787286 -3.729303 -0.886086
C -0.332174 -4.219979 -0.735734
C 1.375375 -0.733779 -0.047151
C -3.358260 -0.113949 1.904810
C 1.631739 -0.162315 -1.315555
C 2.025624 -0.223231 1.095615
C -4.103961 0.731654 0.913585
C 2.922215 0.863805 0.979162
C 2.532343 0.923517 -1.435516
C 3.192601 1.450396 -0.288522
C -4.667984 0.948799 -1.472725
C 3.280783 0.912411 3.402059
C 2.199658 1.047785 -3.855266
C 3.825129 3.761206 0.185836
C -6.151912 0.588876 -1.574912
H -1.290418 -0.798002 -0.870921
H 0.507772 -2.313523 1.132876
H -2.030275 -3.025755 1.159931
H -3.127176 -2.229372 -0.026117
H 0.580679 -2.657413 -1.938865
H 1.698845 -3.379868 -0.764455
H -2.502834 -4.559055 -0.733338
H -1.947078 -3.349740 -1.915635
H -0.114905 -5.005187 -1.484579
H -0.199409 -4.681238 0.263950
H -3.653628 -1.172023 1.908550
H -3.363774 0.324551 2.912237
H 1.124823 -0.550983 -2.203782
H 1.791145 -0.653662 2.072736
H -4.522995 2.024558 -1.273584
H -4.102272 0.648785 -2.369124
H 2.201531 1.008524 3.625640
H 3.586910 -0.147191 3.497223
H 3.867753 1.530800 4.097167
H 2.468987 -0.011603 -4.038093
H 1.096512 1.145921 -3.806529
H 2.589394 1.673308 -4.671999
H 2.862428 4.159670 -0.187244
H 3.790345 3.645148 1.282715
H 4.647663 4.432716 -0.104460
H -6.597903 1.106750 -2.444092
H -6.696093 0.907585 -0.670583
H -6.288990 -0.497368 -1.714910


