%chk=000210273.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000210273

0 1
S -4.945422 0.221269 -0.328637
S -6.380643 -0.671368 0.498131
O -3.584083 -0.346980 0.383472
O -4.881834 1.794033 0.198960
O -4.718945 0.339112 -1.734402
N 0.052630 -0.524292 0.101329
C 2.887090 0.383472 -0.291639
C 2.524759 -0.945804 0.409143
C 4.341035 0.410397 -0.820611
C 2.790747 1.607143 0.648570
C 4.789300 1.883272 -0.786273
C 3.784470 2.645755 0.100114
C 1.129240 -0.882205 1.076067
C 2.621995 -2.129289 -0.577554
C 2.523417 -3.487161 0.112985
C -1.306451 -0.856596 0.619158
C -2.281565 0.100119 -0.084332
H 2.189516 0.542726 -1.147136
H 3.263499 -1.118615 1.232728
H 5.002397 -0.204549 -0.186305
H 4.405977 -0.005143 -1.837924
H 1.761237 2.000161 0.678366
H 3.055718 1.333294 1.683640
H 5.814538 1.972281 -0.391626
H 4.810924 2.309887 -1.803144
H 3.257194 3.416255 -0.487845
H 4.295384 3.176961 0.919066
H 1.127912 -0.096675 1.865032
H 0.936838 -1.848111 1.594198
H 1.837196 -2.042620 -1.354098
H 3.583173 -2.074319 -1.127142
H 0.212314 -1.019618 -0.785419
H 1.560987 -3.620589 0.619943
H 3.310616 -3.616196 0.864948
H 2.627063 -4.304949 -0.609845
H -1.617745 -1.909370 0.446336
H -1.366121 -0.695591 1.718610
H -2.239160 0.019726 -1.185774
H -2.140211 1.147046 0.238467
H -4.704187 2.484631 -0.466861


%chk=000210273-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000210273

0 1
S -4.837747 0.676187 0.919874
S -6.764650 -0.218310 1.008183
O -3.547841 -0.583406 0.227638
O -4.032489 0.777333 2.623282
O -4.608895 2.147837 0.277553
N 0.065591 -0.956982 -0.527729
C 2.906427 0.227441 -0.743599
C 2.415110 -0.752841 0.359503
C 4.465531 0.271670 -0.892311
C 2.517989 1.718188 -0.528462
C 4.838787 1.741264 -1.284416
C 3.483312 2.484189 -1.462175
C 0.893287 -0.605695 0.640520
C 2.807045 -2.220429 0.033908
C 2.536240 -3.224252 1.176132
C -1.329162 -1.315020 -0.337688
C -2.197783 -0.074929 0.135308
H 2.485021 -0.097950 -1.720996
H 2.925980 -0.459466 1.304357
H 4.941615 -0.007134 0.067881
H 4.819346 -0.454362 -1.645340
H 1.454949 1.933260 -0.745755
H 2.705325 2.004686 0.527246
H 5.424933 2.215071 -0.475212
H 5.457180 1.787161 -2.198467
H 3.133370 2.397907 -2.509620
H 3.551242 3.560899 -1.224759
H 0.697689 0.431825 0.997128
H 0.599373 -1.280588 1.465921
H 2.258109 -2.539228 -0.874126
H 3.884878 -2.248355 -0.216411
H 0.266387 -0.412470 -1.372961
H 1.455787 -3.340506 1.377378
H 3.024501 -2.902825 2.116183
H 2.929395 -4.225016 0.919720
H -1.755344 -1.694878 -1.281245
H -1.416243 -2.103712 0.428745
H -2.116848 0.737531 -0.614776
H -1.831653 0.272372 1.120593
H -4.174943 1.721030 2.931694


