%chk=000279385.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000279385

0 1
S 0.058856 0.928958 1.010001
O -1.973232 -3.642890 0.737069
O -2.298087 -2.761792 2.775022
O -4.253573 1.463416 0.884187
O -5.586148 2.109330 -0.681986
N -2.628193 -0.548702 0.522894
N -4.729059 1.354781 -0.249210
C 1.772589 0.523314 0.439324
C 2.748730 0.336985 1.583386
C 2.189391 1.777425 -0.309857
C 1.560659 -0.704693 -0.418364
C -0.537100 -0.561654 1.851039
C -1.446854 -1.340840 0.904563
C 4.054319 -0.090024 1.268653
C 1.922231 3.043972 0.234086
C 0.879580 -0.583463 -1.645281
C 2.429364 0.622700 2.915152
C 2.899751 1.685282 -1.518011
C 1.952501 -1.979790 0.015355
C 5.006450 -0.258525 2.272903
C 2.314878 4.198668 -0.450327
C 0.615142 -1.710726 -2.423117
C 3.388768 0.449700 3.921513
C 3.296037 2.841990 -2.193060
C 1.684060 -3.108190 -0.767039
C -1.958811 -2.600924 1.632395
C -3.216103 -0.622839 -0.724378
C 4.673591 0.005430 3.607134
C 2.996568 4.102276 -1.666243
C 1.017314 -2.978472 -1.986809
C -4.251768 0.284718 -1.102325
C -2.833695 -1.636860 -1.659905
C -4.860069 0.159263 -2.382194
C -3.445533 -1.728041 -2.889385
C -4.468572 -0.822955 -3.263646
H 0.304220 -1.192925 2.204480
H -1.075927 -0.238756 2.770330
H -0.868601 -1.675224 -0.013071
H 4.323481 -0.283219 0.229640
H 1.423267 3.151383 1.199589
H 0.545760 0.398669 -1.990028
H 1.447116 1.002034 3.198983
H 3.153060 0.710750 -1.935815
H 2.473693 -2.108630 0.965250
H -2.927106 0.196341 1.186062
H 6.012037 -0.590331 2.018435
H 2.090306 5.177460 -0.027721
H 0.092565 -1.601561 -3.372905
H 3.126768 0.671129 4.955642
H 3.841970 2.760282 -3.131719
H 1.999075 -4.091636 -0.419839
H 5.415929 -0.127842 4.391823
H 3.298917 5.003028 -2.197126
H 0.812288 -3.857021 -2.595687
H -2.059026 -2.355309 -1.378677
H -5.652590 0.871736 -2.646628
H -3.147323 -2.509285 -3.592468
H -2.322789 -4.489717 1.127749
H -4.937072 -0.913983 -4.240641


%chk=000279385-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000279385

0 1
S -0.011120 1.025752 0.854439
O -2.109321 -3.724264 0.444773
O -1.946263 -2.958703 2.634600
O -4.454556 1.151468 1.292837
O -6.077233 1.902144 -0.115207
N -2.756125 -0.654496 0.477489
N -5.074800 1.125171 0.130744
C 1.843098 0.561141 0.370474
C 2.749714 0.417452 1.619208
C 2.351611 1.788801 -0.425665
C 1.734285 -0.726863 -0.463309
C -0.596591 -0.576274 1.668628
C -1.514890 -1.392888 0.739629
C 4.112828 0.062643 1.414845
C 2.106456 3.100843 0.058560
C 1.125743 -0.684909 -1.749997
C 2.317997 0.680242 2.940465
C 3.175915 1.636161 -1.570080
C 2.125538 -1.990465 0.048347
C 5.007093 -0.037825 2.499507
C 2.642871 4.227483 -0.599616
C 0.936744 -1.860470 -2.503418
C 3.214049 0.580314 4.030841
C 3.722356 2.763362 -2.223427
C 1.928527 -3.173826 -0.703054
C -1.859717 -2.739829 1.408704
C -3.481080 -0.674572 -0.695622
C 4.561207 0.218236 3.818067
C 3.455023 4.065287 -1.745611
C 1.338003 -3.116119 -1.983330
C -4.619744 0.196317 -0.895563
C -3.147681 -1.552979 -1.780289
C -5.347477 0.192592 -2.116211
C -3.874655 -1.540522 -2.975561
C -4.981286 -0.663763 -3.158845
H 0.288727 -1.166560 1.950319
H -1.124901 -0.297223 2.595895
H -0.989175 -1.598157 -0.206630
H 4.478715 -0.123459 0.398934
H 1.495858 3.241698 0.957224
H 0.779653 0.275321 -2.146217
H 1.281725 0.988646 3.113943
H 3.393449 0.635563 -1.957540
H 2.595520 -2.055871 1.034771
H -3.128825 -0.007901 1.196469
H 6.052801 -0.309258 2.315820
H 2.431813 5.230961 -0.213669
H 0.470960 -1.798754 -3.493508
H 2.854835 0.791149 5.044338
H 4.356991 2.621431 -3.105518
H 2.237889 -4.137284 -0.282793
H 5.255862 0.143396 4.661937
H 3.875556 4.939425 -2.254881
H 1.187005 -4.031142 -2.566526
H -2.332019 -2.268074 -1.654135
H -6.193408 0.879200 -2.203778
H -3.589165 -2.230433 -3.777524
H -2.388673 -4.569906 0.891747
H -5.543710 -0.665205 -4.096835


