%chk=000217959.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000217959

0 1
S -1.864121 0.509749 -0.484679
O -0.467035 -3.079123 -0.298915
O -5.141056 -1.401846 1.491659
O -4.980635 -1.143450 -0.729253
N 0.740583 1.450077 -0.317461
N 0.338018 -0.912768 -0.337041
C 0.371970 2.875337 -0.342147
C 1.667173 3.709244 -0.184058
C -0.549962 3.313421 0.822070
C 1.256269 4.995219 0.550492
C -0.148618 4.762739 1.142964
C -0.054760 0.461839 -0.362449
C -2.084274 -1.294007 -0.527262
C -0.692601 -1.895093 -0.378232
C -2.997249 -1.738786 0.600170
C 1.740980 -1.298271 -0.254498
C 2.129349 -2.260146 0.692175
C 2.675594 -0.719478 -1.127143
C -4.429168 -1.390481 0.314726
C 3.472170 -2.638206 0.760561
C 4.014634 -1.107141 -1.036838
C 4.415046 -2.063260 -0.097807
H -0.114290 3.116083 -1.324110
H 2.130578 3.916352 -1.160810
H 2.421345 3.145720 0.398960
H -0.398504 2.667857 1.706557
H -1.615804 3.236305 0.555026
H 1.249380 5.857090 -0.138493
H 1.983421 5.240888 1.342972
H -0.155307 4.939897 2.231559
H -0.873906 5.473427 0.710105
H -2.513789 -1.587449 -1.525699
H -2.918003 -2.848631 0.744586
H -2.687835 -1.312320 1.585452
H 1.393109 -2.721528 1.349856
H 2.368298 0.031992 -1.854176
H 3.783003 -3.387007 1.488554
H 4.749189 -0.660352 -1.706104
H 5.460011 -2.361201 -0.036136
H -6.105902 -1.191794 1.360270


%chk=000217959-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000217959

0 1
S -1.986916 0.626415 -0.455856
O -0.530953 -3.087880 -0.600985
O -5.456534 -1.981309 0.842536
O -4.956293 -1.092857 -1.245605
N 0.673816 1.431711 0.140718
N 0.267668 -0.889280 -0.254692
C 0.254025 2.830992 0.275010
C 0.962459 3.749536 -0.759174
C 0.702993 3.440413 1.628755
C 0.871590 5.178094 -0.145261
C 0.626395 4.972937 1.392602
C -0.136592 0.478827 -0.138445
C -2.122720 -1.241463 -0.717576
C -0.726841 -1.846941 -0.522463
C -3.139153 -1.906926 0.223987
C 1.655975 -1.281371 -0.073563
C 1.971413 -2.310881 0.841487
C 2.670861 -0.648586 -0.825821
C -4.570705 -1.598020 -0.169166
C 3.316484 -2.708907 1.001784
C 4.012833 -1.049396 -0.654284
C 4.340303 -2.079565 0.257780
H -0.850216 2.949617 0.171405
H 0.510428 3.678136 -1.763819
H 2.015225 3.418576 -0.837182
H 1.743362 3.115559 1.817820
H 0.083054 3.097157 2.475274
H 0.039473 5.748291 -0.596405
H 1.795534 5.750505 -0.340421
H 1.365027 5.514653 2.009019
H -0.371731 5.355886 1.674560
H -2.433479 -1.396896 -1.765033
H -2.998129 -3.005575 0.168032
H -2.975504 -1.614179 1.275379
H 1.176690 -2.803280 1.408076
H 2.412940 0.151583 -1.524117
H 3.561565 -3.509552 1.707779
H 4.801038 -0.558839 -1.235496
H 5.383178 -2.389532 0.385851
H -6.391263 -1.796752 0.552915


