%chk=000280296.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000280296

0 1
S 1.232736 1.601158 -0.457851
S -1.413505 1.914543 0.906047
O 2.023815 2.818870 -0.464711
O 0.435843 1.327894 -1.671067
N 0.145917 1.623360 0.805317
C 2.260108 0.249161 -0.133868
C -2.372219 0.582737 0.234103
C 2.190592 -0.886975 -0.945111
C 3.160494 0.290249 0.935039
C 3.923672 -1.945722 0.380539
C -2.183069 0.068184 -1.047446
C -3.345973 0.044211 1.080301
C -3.972941 -1.527089 -0.661611
C 3.018251 -1.982469 -0.693218
C 3.990398 -0.801583 1.194679
C -2.984373 -0.985314 -1.497124
C -4.149141 -1.005570 0.633722
C -1.835838 3.180093 -0.309746
C 4.819085 -3.107477 0.660356
C -4.833242 -2.654697 -1.128906
H 1.487046 -0.915720 -1.785612
H 3.220286 1.179791 1.570279
H -1.399598 0.477412 -1.710319
H -3.486994 0.433540 2.090014
H 2.961221 -2.861516 -1.330528
H 4.690129 -0.764995 2.026360
H -2.833960 -1.383489 -2.498834
H -4.909212 -1.425155 1.288554
H -2.916790 3.334385 -0.363876
H -1.487318 2.937796 -1.328413
H -1.365651 4.135044 -0.042634
H 5.874934 -2.837430 0.506720
H 4.722183 -3.449100 1.701201
H 4.612126 -3.972742 0.017149
H -5.901626 -2.426939 -1.004750
H -4.678562 -2.898417 -2.188488
H -4.628623 -3.571230 -0.555468


%chk=000280296-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000280296

0 1
S 0.869245 0.074131 -0.668940
S -1.453437 0.709606 1.316488
O 0.973400 1.658740 -1.103900
O 0.281610 -0.974662 -1.790557
N 0.094802 -0.137134 1.048558
C 2.583006 -0.533981 -0.192463
C -2.911953 0.073418 0.276433
C 2.884191 -1.891199 -0.374909
C 3.507526 0.402784 0.297354
C 5.156644 -1.424065 0.465581
C -2.732953 -0.646751 -0.917291
C -4.191840 0.323805 0.817304
C -5.193636 -0.862023 -1.096689
C 4.186258 -2.327717 -0.039118
C 4.800950 -0.056495 0.622612
C -3.888415 -1.105735 -1.594211
C -5.327494 -0.139820 0.119253
C -1.378752 2.527612 0.675757
C 6.554326 -1.898292 0.821384
C -6.419869 -1.381689 -1.825473
H 2.131997 -2.572579 -0.784610
H 3.226485 1.456106 0.395380
H -1.733035 -0.856846 -1.323453
H -4.310608 0.859363 1.766729
H 4.448755 -3.383427 -0.171546
H 5.543912 0.654206 1.003613
H -3.762190 -1.663484 -2.529406
H -6.325793 0.054165 0.529430
H -2.407814 2.910379 0.746043
H -0.980178 2.517545 -0.348003
H -0.695294 3.052304 1.358085
H 7.317415 -1.392661 0.200384
H 6.795742 -1.675367 1.877368
H 6.665065 -2.985517 0.671834
H -7.224764 -0.625379 -1.854582
H -6.181977 -1.668050 -2.863892
H -6.831127 -2.276490 -1.319747


