%chk=000268559.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000268559

0 1
S -1.509383 -0.154169 0.849609
O -2.337862 1.875791 -1.695788
C -3.548480 -1.314432 -0.544932
C -2.441550 -0.281834 -0.713902
C -4.688136 -0.825830 0.357199
C -5.254487 0.507131 -0.145112
C -4.171913 1.587269 -0.198841
C -2.942671 1.135932 -0.949036
C 0.173047 0.011873 0.343791
C 1.104511 -0.738275 1.015761
C 2.492987 -0.581026 0.704191
C 0.543316 0.939844 -0.667717
C 2.877854 0.339316 -0.306186
C 1.869001 1.094825 -0.986298
C 3.501974 -1.334824 1.384697
C 4.266368 0.489975 -0.619068
C 4.825906 -1.169667 1.063934
C 5.212970 -0.245462 0.049079
H -3.130182 -2.262411 -0.146351
H -3.953729 -1.569771 -1.547767
H -1.760057 -0.585107 -1.546661
H -4.331234 -0.717867 1.401061
H -5.489357 -1.588662 0.392488
H -6.079857 0.841702 0.513072
H -5.702811 0.375098 -1.149874
H -3.864407 1.879817 0.830035
H -4.568486 2.516123 -0.659381
H 0.818907 -1.456307 1.785536
H -0.226752 1.527099 -1.182609
H 2.174681 1.799875 -1.759167
H 3.196441 -2.037582 2.158464
H 4.552693 1.198555 -1.395040
H 5.600608 -1.738048 1.576257
H 6.271490 -0.136649 -0.182444


%chk=000268559-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000268559

0 1
S -1.544683 -0.234806 0.947736
O -2.471063 1.974584 -1.774247
C -3.638356 -1.275732 -0.672917
C -2.505117 -0.228534 -0.730238
C -4.777639 -0.859827 0.285327
C -5.342683 0.526615 -0.100565
C -4.229228 1.611118 -0.110013
C -3.025277 1.196395 -0.948089
C 0.201733 -0.043280 0.384982
C 1.186869 -0.729719 1.101391
C 2.571973 -0.573133 0.767203
C 0.555270 0.820218 -0.703362
C 2.938467 0.287708 -0.339803
C 1.897546 0.965831 -1.056689
C 3.607696 -1.256172 1.488435
C 4.323378 0.433839 -0.680091
C 4.948997 -1.093984 1.133687
C 5.310993 -0.242212 0.040741
H -3.212812 -2.254775 -0.387021
H -4.049063 -1.383627 -1.698972
H -1.756102 -0.476522 -1.499673
H -4.398413 -0.834034 1.326785
H -5.581358 -1.619218 0.256890
H -6.140133 0.830740 0.602683
H -5.805313 0.467983 -1.106186
H -3.869651 1.763773 0.928710
H -4.599556 2.581442 -0.482543
H 0.908532 -1.402066 1.921256
H -0.218918 1.369428 -1.249556
H 2.167447 1.624101 -1.891110
H 3.331105 -1.907894 2.325874
H 4.597442 1.086563 -1.517683
H 5.732413 -1.618127 1.692184
H 6.366906 -0.124373 -0.226128


