%chk=000240837.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000240837

0 1
S 4.365184 1.263376 -0.537730
S -4.367738 -1.270604 -0.531802
O 3.009116 0.254253 -0.498324
O -3.011710 -0.261137 -0.500475
O 4.381070 1.979467 0.710722
O 4.289121 1.998729 -1.772820
O -4.383554 -1.976545 0.722430
O -4.291633 -2.015937 -1.760882
C 6.825990 0.391575 0.170602
C -6.825616 -0.389481 0.175718
C 5.568507 0.000697 -0.608601
C -5.571129 -0.008610 -0.613199
C 7.843952 -0.757383 0.200495
C -7.843049 0.760154 0.195727
C 0.717629 -0.263313 -0.496535
C -0.720226 0.256453 -0.499450
C 1.715013 0.895916 -0.500328
C -1.717608 -0.902777 -0.494996
C 9.107566 -0.359460 0.976658
C -9.103664 0.372198 0.981751
C 10.124909 -1.496872 1.014557
C -10.120453 1.510388 1.009920
H 6.557832 0.680499 1.211517
H 7.295449 1.289861 -0.282040
H -6.553409 -0.665943 1.218960
H -7.297171 -1.293048 -0.264048
H 5.162868 -0.959550 -0.213373
H 5.836628 -0.245580 -1.660191
H -5.163664 0.956284 -0.231339
H -5.843377 0.224909 -1.666644
H 8.115824 -1.053188 -0.831194
H 7.390223 -1.656184 0.661354
H -8.118976 1.043501 -0.838379
H -7.387163 1.664319 0.643789
H 0.906216 -0.905385 0.388290
H 0.907208 -0.912182 -1.376135
H -0.908816 0.898169 -1.384497
H -0.909802 0.905674 0.379923
H 1.632031 1.519447 -1.410907
H 1.634183 1.523253 0.407526
H -1.638162 -1.522442 0.418238
H -1.633237 -1.533954 -1.400158
H 8.838722 -0.064239 2.010519
H 9.567505 0.537674 0.516909
H -8.830758 0.089451 2.018032
H -9.565762 -0.530278 0.534799
H 10.444543 -1.789466 0.007824
H 9.717156 -2.389930 1.502001
H 11.023741 -1.204181 1.569983
H -10.444036 1.790858 0.001001
H -9.710432 2.409140 1.484834
H -11.017143 1.224820 1.572471


%chk=000240837-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000240837

0 1
S 4.526432 1.351896 -0.263475
S -4.522215 -1.349705 -0.228912
O 3.079230 0.156019 -0.220015
O -3.076883 -0.150939 -0.200622
O 4.696080 2.052670 1.188444
O 4.393821 2.294095 -1.577420
O -4.692635 -2.031800 1.231775
O -4.386369 -2.308721 -1.530311
C 7.168779 0.361570 0.130579
C -7.167428 -0.360556 0.147039
C 5.847837 -0.043828 -0.517458
C -5.845968 0.039933 -0.503019
C 8.200777 -0.792297 0.029743
C -8.202687 0.788568 0.027398
C 0.720095 -0.285793 -0.229246
C -0.717744 0.292252 -0.236655
C 1.764631 0.839888 -0.232573
C -1.761545 -0.833468 -0.198416
C 9.547695 -0.421853 0.693962
C -9.550788 0.422580 0.691700
C 10.582936 -1.563586 0.610160
C -10.589897 1.559122 0.587724
H 6.999702 0.618137 1.193179
H 7.577549 1.264521 -0.361728
H -7.000541 -0.601992 1.213505
H -7.572063 -1.271445 -0.333950
H 5.368377 -0.917105 -0.047636
H 5.878111 -0.143910 -1.613933
H -5.369465 0.920074 -0.043113
H -5.874236 0.126263 -1.600717
H 8.376336 -1.049360 -1.034791
H 7.792504 -1.703156 0.513843
H -8.375336 1.030907 -1.041067
H -7.799017 1.707090 0.500747
H 0.875042 -0.915522 0.667055
H 0.879453 -0.927689 -1.116031
H -0.880374 0.903854 -1.143962
H -0.869717 0.951795 0.638516
H 1.677139 1.465875 -1.142019
H 1.663594 1.476808 0.668024
H -1.655173 -1.441388 0.721305
H -1.678160 -1.487846 -1.088179
H 9.369587 -0.156347 1.755246
H 9.956451 0.487030 0.208441
H -9.375853 0.172857 1.757342
H -9.954263 -0.494651 0.217587
H 10.797057 -1.830454 -0.441781
H 10.215451 -2.473788 1.120138
H 11.537470 -1.273561 1.085332
H -10.800336 1.810794 -0.468688
H -10.228099 2.477588 1.086835
H -11.545445 1.271970 1.062605


