%chk=000240290.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000240290

0 1
S -2.362017 0.548938 2.115108
O 3.631378 -0.090715 -1.463240
O 5.300488 2.556619 -0.866383
O 5.139414 -0.061978 1.528778
O 4.404235 -3.141810 -0.788459
O -5.496519 -0.882844 2.413348
N 2.132619 0.993766 0.025267
N 0.865598 0.295623 1.823339
N 0.281930 1.841356 -1.427503
N -1.937295 1.578898 -0.337186
N -1.719724 2.440616 -2.534866
C 4.548073 1.637090 -0.097999
C 3.282708 1.167656 -0.872736
C 5.350413 0.329551 0.169194
C 4.709214 -0.750000 -0.736556
C 4.145370 -1.975653 -0.004348
C 0.795927 1.260551 -0.305349
C 2.098870 0.385239 1.339539
C 0.013879 0.828464 0.835393
C -1.378720 1.018540 0.753891
C -1.096106 1.954802 -1.396096
C -4.068146 0.818519 1.609905
C -4.717832 -0.546791 1.546771
C -4.359809 -1.448006 0.413428
C -3.984036 -0.959109 -0.845011
C -4.430300 -2.834333 0.631558
C -3.672176 -1.851006 -1.874809
C -4.112390 -3.722434 -0.398133
C -3.732462 -3.230615 -1.651510
H 4.324787 2.203400 0.834620
H 2.993852 1.814221 -1.742345
H 6.433775 0.462774 -0.025209
H 5.399052 -1.074164 -1.551432
H 3.062553 -1.872997 0.190237
H 4.683930 -2.177447 0.946040
H 5.502923 2.200878 -1.763087
H 5.810221 0.352353 2.115532
H 3.020591 0.071008 1.828298
H 3.790335 -3.179298 -1.554456
H -4.567118 1.455155 2.373669
H -4.157482 1.375432 0.652745
H -2.682553 2.736715 -2.471754
H -1.151626 2.883894 -3.243692
H -3.930004 0.116112 -1.028135
H -4.738139 -3.208105 1.611591
H -3.376643 -1.469246 -2.850605
H -4.161664 -4.796111 -0.224506
H -3.483471 -3.923211 -2.454846


%chk=000240290-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000240290

0 1
S -2.269659 0.225702 2.166435
O 3.936982 0.117790 -1.499105
O 5.359862 2.760410 -1.018017
O 5.359313 0.111202 1.608425
O 4.414052 -2.714564 -1.339094
O -5.859668 -0.554417 2.329470
N 2.300703 0.942922 0.152151
N 1.056534 0.183105 1.934126
N 0.471113 1.694568 -1.329476
N -1.740733 1.315412 -0.324744
N -1.509408 2.281575 -2.447630
C 4.674696 1.867866 -0.078535
C 3.409863 1.274878 -0.746047
C 5.574400 0.631802 0.248951
C 5.142907 -0.444130 -0.783176
C 4.784709 -1.833266 -0.230248
C 0.956979 1.146289 -0.190718
C 2.291686 0.354687 1.445959
C 0.201836 0.671655 0.924831
C -1.205699 0.787254 0.803151
C -0.900339 1.750501 -1.334650
C -3.986985 0.720115 1.507802
C -4.935313 -0.479066 1.464690
C -4.775075 -1.528514 0.405656
C -3.847167 -1.402799 -0.663272
C -5.606457 -2.680746 0.475776
C -3.755669 -2.415391 -1.642188
C -5.509713 -3.690778 -0.500371
C -4.581997 -3.560628 -1.563101
H 4.461166 2.489190 0.804418
H 2.988474 1.960435 -1.500471
H 6.631626 0.926852 0.113954
H 5.899791 -0.573562 -1.577150
H 3.976078 -1.763185 0.520602
H 5.664744 -2.297761 0.241776
H 5.429398 2.309225 -1.900299
H 5.876076 0.653394 2.254392
H 3.220606 0.090961 1.948154
H 3.653909 -2.290842 -1.816250
H -4.388922 1.463247 2.211055
H -3.793492 1.174698 0.518961
H -2.521905 2.358516 -2.474894
H -0.933491 2.612839 -3.216414
H -3.200059 -0.521665 -0.738247
H -6.317117 -2.754681 1.305723
H -3.038161 -2.314867 -2.464016
H -6.150451 -4.577111 -0.437650
H -4.504118 -4.346820 -2.322696


