%chk=000228046.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000228046

0 1
S -3.838360 -0.714272 0.764158
S -6.522787 1.734161 -1.796657
O 3.466025 -0.575033 0.625780
O 6.160988 1.231775 -1.990250
O 6.852156 -1.208100 -0.520240
O 4.193173 2.153471 -0.567143
O 5.938352 -3.002506 1.552900
O -4.289242 -0.352119 2.078502
O -4.039277 -2.025828 0.214813
N 1.832216 0.918576 0.116978
N -4.513660 0.454558 -0.375918
N -6.813420 -0.218970 -0.082074
C 5.211186 0.278328 -1.532462
C 5.727100 -0.369727 -0.226147
C 3.847717 0.971879 -1.307201
C 4.667309 -1.327534 0.357719
C 2.855225 0.072567 -0.514656
C 5.062213 -1.893333 1.735392
C 0.513471 0.437295 0.309621
C -0.290604 1.073661 1.287403
C -0.042284 -0.566677 -0.514609
C -2.187005 -0.263035 0.579159
C -1.626677 0.715284 1.413532
C -1.382071 -0.909846 -0.367502
C -5.866174 0.532290 -0.628473
C -8.133850 1.142006 -1.483112
C -8.090173 0.131733 -0.569964
H 5.171884 -0.465087 -2.363661
H 6.036404 0.409776 0.505859
H 3.389248 1.274173 -2.276407
H 4.441378 -2.156257 -0.350885
H 2.423649 -0.717666 -1.178611
H 5.538595 -1.135996 2.381515
H 4.184043 -2.326081 2.255754
H 2.226261 1.455277 0.905962
H 6.109314 2.059696 -1.438891
H 7.523814 -0.695994 -1.032876
H 3.511255 2.849001 -0.706031
H 6.731197 -2.723695 1.023401
H 0.132252 1.831383 1.943914
H 0.570771 -1.081189 -1.252113
H -2.246642 1.196662 2.181869
H -1.809354 -1.702178 -0.997000
H -3.914715 1.113492 -0.884990
H -8.988979 1.563788 -1.977609
H -8.933422 -0.433111 -0.176949


%chk=000228046-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000228046

0 1
S -3.878398 -0.321807 1.189725
S -6.498329 0.764880 -2.441366
O 3.348601 -0.604530 0.560669
O 6.478367 1.320823 -1.558686
O 6.762159 -1.420024 -0.655242
O 4.453319 2.277686 0.076396
O 5.533800 -3.629024 0.486150
O -4.441176 0.602184 2.392312
O -3.991426 -1.934900 1.238010
N 1.902588 1.234028 0.164792
N -4.565099 0.302901 -0.440560
N -6.844894 -0.294255 0.012077
C 5.315126 0.455526 -1.318547
C 5.640817 -0.575976 -0.226345
C 4.064996 1.292562 -0.964390
C 4.419164 -1.477910 0.032746
C 2.900255 0.405422 -0.439507
C 4.696508 -2.581817 1.068054
C 0.580696 0.838463 0.404495
C -0.309520 1.764095 1.028357
C 0.099678 -0.453653 0.037571
C -2.097652 0.156824 0.840154
C -1.654166 1.425869 1.255924
C -1.248627 -0.795937 0.250519
C -5.898683 0.192678 -0.765957
C -8.144880 0.247857 -1.894681
C -8.098455 -0.265954 -0.613998
H 5.155189 -0.076131 -2.273845
H 5.889879 -0.046299 0.719097
H 3.713097 1.824615 -1.869588
H 4.099853 -1.958294 -0.920107
H 2.480879 -0.145076 -1.311824
H 5.157344 -2.137735 1.976136
H 3.748756 -3.065365 1.354714
H 2.282155 2.012096 0.711410
H 6.523786 1.944256 -0.783189
H 7.474057 -0.829909 -1.016206
H 4.357818 3.192725 -0.285338
H 6.324183 -3.180650 0.074324
H 0.059487 2.750185 1.332792
H 0.785380 -1.204553 -0.362335
H -2.339748 2.116559 1.757417
H -1.625098 -1.794449 0.004675
H -3.864898 0.684315 -1.079752
H -8.996687 0.368905 -2.559454
H -8.961701 -0.644608 -0.065798


