%chk=000275690.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000275690

0 1
S -1.601938 1.754458 1.670475
S 0.796202 1.934181 -0.293750
O -1.589688 1.350588 3.070549
O -2.370889 2.915987 1.285004
O -0.313964 1.787105 -1.222622
O 1.743175 3.018140 -0.470968
C 0.113387 2.104501 1.318838
C -2.038036 0.386659 0.730869
C 1.667908 0.446489 -0.222131
C -2.013775 -0.888241 1.315429
C 1.037219 -0.762753 -0.531131
C -2.491212 0.535460 -0.586586
C 3.030357 0.453831 0.102921
C -2.839441 -1.862497 -0.745914
C 3.110765 -1.959125 -0.136455
C -2.399485 -2.008091 0.584889
C 1.748918 -1.962078 -0.482214
C -2.882028 -0.585640 -1.324245
C 3.749000 -0.738603 0.153911
C -3.274056 -3.054841 -1.530012
C 3.886583 -3.231675 -0.086970
H 0.286096 3.162695 1.645890
H 0.725290 1.555521 2.067239
H -1.697299 -1.001841 2.359977
H -0.021660 -0.773888 -0.821099
H -2.529165 1.532729 -1.052029
H 3.538871 1.403849 0.307656
H -2.378935 -2.992364 1.046734
H 1.247481 -2.898145 -0.720423
H -3.222447 -0.458129 -2.350740
H 4.807177 -0.725734 0.409168
H -2.947322 -3.004045 -2.578724
H -2.896751 -4.000186 -1.118471
H -4.373848 -3.128114 -1.543716
H 4.625675 -3.274501 -0.902853
H 4.446097 -3.332485 0.855072
H 3.255238 -4.125518 -0.181368


%chk=000275690-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000275690

0 1
S -1.784712 1.914467 1.653167
S 0.982905 2.153800 -0.235830
O -1.920708 1.555846 3.248877
O -2.581909 3.158247 0.972398
O -0.159644 2.143168 -1.399914
O 2.161466 3.288861 -0.170192
C 0.126305 2.291155 1.510349
C -2.165235 0.338131 0.687089
C 1.833605 0.462714 -0.213601
C -2.103834 -0.878413 1.384039
C 1.138522 -0.654248 -0.699546
C -2.582189 0.455739 -0.648989
C 3.163027 0.415621 0.238919
C -2.870109 -1.998239 -0.676277
C 3.155009 -2.004651 -0.243335
C -2.454837 -2.053083 0.680981
C 1.816913 -1.894545 -0.703986
C -2.929555 -0.733921 -1.324884
C 3.816072 -0.835035 0.222304
C -3.284470 -3.259125 -1.412076
C 3.882400 -3.336060 -0.271059
H 0.217464 3.353697 1.785473
H 0.629629 1.592557 2.193948
H -1.820679 -0.899549 2.441624
H 0.116804 -0.560989 -1.081209
H -2.630882 1.433472 -1.135701
H 3.671450 1.330022 0.563044
H -2.418151 -3.018836 1.197496
H 1.297654 -2.785029 -1.075562
H -3.254579 -0.677213 -2.369964
H 4.853992 -0.902598 0.568289
H -2.935530 -3.251200 -2.459868
H -2.890364 -4.166315 -0.923121
H -4.387314 -3.350692 -1.438386
H 4.678277 -3.334567 -1.039748
H 4.368516 -3.549494 0.698087
H 3.198191 -4.169995 -0.500639


