%chk=000294733.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000294733

0 1
S -2.786710 -0.779050 0.521697
O -3.261620 2.424307 1.047759
O -3.173379 1.902240 -1.133689
N -6.064598 1.396571 -0.432401
C 1.731994 -0.048594 -0.045308
C 0.377323 0.081725 -0.522151
C -0.448752 -1.039521 -0.645102
C 2.296506 -1.326601 0.022572
C 0.077086 -2.340237 -0.380174
C 1.463699 -2.484346 -0.098031
C 2.447330 1.186269 0.316085
C -1.875591 -0.893764 -1.061128
C 1.972282 2.434301 -0.158705
C -0.078546 1.397186 -0.958190
C 0.695420 2.495987 -0.849404
C 3.772955 -1.524642 0.164916
C -0.745127 -3.520664 -0.423364
C 1.989895 -3.811161 0.085527
C 3.562762 1.201258 1.185435
C 2.690347 3.622223 0.104175
C -0.213027 -4.764633 -0.224745
C 1.184571 -4.914469 0.027549
C 4.248436 2.376679 1.460737
C -4.519198 -0.583218 0.008051
C 3.830520 3.593106 0.892982
C -4.900476 0.870476 0.314978
C -3.702778 1.751635 -0.054165
H -2.054366 0.025271 -1.669166
H -2.235414 -1.746619 -1.664796
H -1.074848 1.460127 -1.419602
H 0.373200 3.461036 -1.239857
H 4.334779 -0.780512 -0.422365
H 4.094047 -1.433000 1.214805
H 4.106310 -2.510715 -0.190786
H -1.813807 -3.407338 -0.606983
H 3.058695 -3.921145 0.280757
H 3.877961 0.281586 1.681900
H 2.332745 4.564634 -0.308114
H -0.838222 -5.655459 -0.253059
H 1.586638 -5.914919 0.174269
H 5.110257 2.362360 2.125818
H -5.138573 -1.293815 0.586596
H -4.656793 -0.837442 -1.057238
H 4.389912 4.504973 1.091482
H -5.111345 0.993737 1.417513
H -6.916511 0.907844 -0.176847
H -5.937673 1.312798 -1.438477
H -2.449414 2.974433 0.869048


%chk=000294733-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000294733

0 1
S -3.004689 -0.985192 0.630466
O -4.106862 2.911701 0.773596
O -3.435728 1.938220 -1.225729
N -6.450605 1.094936 -0.472500
C 1.862330 -0.079740 -0.001884
C 0.446957 0.058226 -0.359016
C -0.389671 -1.087845 -0.489619
C 2.446781 -1.379933 -0.008986
C 0.158165 -2.391158 -0.240951
C 1.592020 -2.537785 -0.062127
C 2.618990 1.152624 0.316317
C -1.835052 -0.970544 -0.907084
C 2.067175 2.437704 -0.034434
C -0.067554 1.387087 -0.650398
C 0.721798 2.510493 -0.560140
C 3.952102 -1.613187 -0.073913
C -0.667557 -3.570413 -0.211095
C 2.124795 -3.867677 0.087757
C 3.847350 1.158999 1.048639
C 2.803167 3.633608 0.214219
C -0.116112 -4.839420 -0.046552
C 1.299054 -4.990689 0.096801
C 4.549642 2.347908 1.312391
C -4.650680 -0.584339 -0.226215
C 4.045789 3.596614 0.862279
C -5.161831 0.807536 0.182519
C -4.120560 1.884477 -0.173641
H -2.064615 -0.039328 -1.441384
H -2.144191 -1.823008 -1.531958
H -1.105849 1.504298 -0.968338
H 0.318901 3.493737 -0.831083
H 4.484850 -0.719013 -0.429633
H 4.393925 -1.906530 0.899133
H 4.171145 -2.428675 -0.785375
H -1.754330 -3.463325 -0.278406
H 3.200034 -4.002870 0.233057
H 4.234814 0.229215 1.467379
H 2.363679 4.592529 -0.085934
H -0.765131 -5.721475 -0.013933
H 1.730329 -5.988908 0.231104
H 5.483771 2.308006 1.883539
H -5.391356 -1.345295 0.062107
H -4.479235 -0.634765 -1.315686
H 4.603195 4.520023 1.053084
H -5.315993 0.838213 1.273737
H -7.007417 1.835665 -0.039488
H -6.408990 1.157816 -1.494016
H -3.467849 3.622382 0.492196


