%chk=000266854.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000266854

0 1
S -0.217369 0.259301 0.956180
O 0.241602 1.607500 1.190059
O 0.024127 -0.823213 1.889827
O 1.697369 4.203627 -1.397049
O 3.551754 -1.588452 2.079979
O -0.392066 3.419375 -1.553537
O 2.310660 0.151264 1.418948
N 0.437611 -0.292952 -0.577023
C 0.552041 0.687866 -1.684722
C 1.160346 -1.515427 -0.722413
C -1.897650 0.315744 0.579644
C 1.492484 1.858769 -1.344363
C 2.184437 -1.915045 0.170425
C 0.815219 -2.368003 -1.795844
C -2.713166 -0.787248 0.859069
C -2.454235 1.469519 0.013739
C -4.637687 0.409953 -0.005582
C 2.792653 -3.174678 0.015512
C -4.076037 -0.744867 0.568488
C -3.816751 1.517247 -0.280214
C 1.447324 -3.598109 -1.945240
C 0.789519 3.172356 -1.434982
C 2.432909 -4.010763 -1.036488
C 2.626720 -1.010026 1.242195
C -6.098466 0.466092 -0.303820
H 0.908841 0.185134 -2.611392
H -0.475308 1.069189 -1.916390
H 2.405517 1.852935 -1.972677
H 1.898918 1.761207 -0.289923
H 0.031068 -2.067773 -2.489543
H -2.281467 -1.685487 1.316397
H -1.821840 2.346210 -0.201091
H -4.704991 -1.604110 0.791342
H -4.241332 2.418397 -0.719900
H 3.560014 -3.481954 0.734187
H 1.167805 -4.252960 -2.772445
H 2.910832 -4.981282 -1.153701
H -6.525340 -0.523757 -0.515736
H -6.652754 0.877925 0.554803
H -6.326828 1.106066 -1.167681
H 1.261600 5.097701 -1.395768
H 3.805915 -0.973171 2.824032


%chk=000266854-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000266854

0 1
S -0.152967 0.408391 0.942401
O 0.245060 1.961048 1.188390
O 0.150768 -0.755933 2.036484
O 1.879751 4.323308 -0.975165
O 3.503320 -1.680252 2.193654
O -0.255894 3.574645 -1.460813
O 3.055483 0.241315 0.986911
N 0.637963 -0.159361 -0.645302
C 0.655326 0.830011 -1.739542
C 1.200708 -1.458565 -0.715253
C -1.993377 0.356734 0.524133
C 1.660660 1.996222 -1.526924
C 2.212087 -1.924464 0.186145
C 0.704912 -2.350673 -1.706981
C -2.702395 -0.817734 0.823492
C -2.575109 1.496709 -0.055948
C -4.723579 0.275455 -0.076672
C 2.645122 -3.274110 0.110672
C -4.080093 -0.844563 0.515883
C -3.954579 1.436199 -0.356810
C 1.192874 -3.667664 -1.810641
C 0.965688 3.327556 -1.320134
C 2.151410 -4.141539 -0.882985
C 2.907753 -0.997416 1.124691
C -6.211968 0.244164 -0.372443
H 0.915276 0.265028 -2.651612
H -0.357539 1.250002 -1.896789
H 2.336212 2.106461 -2.397235
H 2.301595 1.785476 -0.653009
H -0.088342 -1.998703 -2.375715
H -2.197724 -1.665642 1.297676
H -1.980486 2.394161 -0.260540
H -4.662413 -1.744978 0.743101
H -4.437220 2.307614 -0.813760
H 3.392623 -3.619784 0.829661
H 0.801430 -4.332536 -2.588608
H 2.509177 -5.174847 -0.936068
H -6.564605 -0.781364 -0.578145
H -6.791290 0.624025 0.491350
H -6.466801 0.876478 -1.240579
H 1.390836 5.176111 -0.817248
H 3.954345 -1.012882 2.777579


