%chk=000198301.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000198301

0 1
S 2.064736 0.037311 2.051732
P 2.469999 -0.039199 0.193129
O 4.029108 -0.335823 -0.195381
O 2.255736 1.190712 -0.834662
O 1.878349 -1.468678 -0.596067
O -3.446529 -0.810750 -0.344352
N 0.047559 -0.214902 -0.139472
N -1.239122 0.009076 -0.058208
C 4.762578 -1.388452 0.530719
C 1.599467 2.428604 -0.334918
C -5.435191 0.304337 0.159254
C -6.142070 1.558827 0.687268
C -3.922478 0.484591 0.188065
C 6.195957 -0.882349 0.441240
C 4.536844 -2.701155 -0.204153
C 1.007632 2.980707 -1.622932
C 2.687530 3.304365 0.265326
C -7.659153 1.394283 0.664412
C 0.522083 -1.420278 -0.585728
C -2.104214 -0.991731 -0.418805
C -0.312083 -2.493018 -0.986594
C -1.670919 -2.267390 -0.897634
H 4.419118 -1.439652 1.590525
H 0.802608 2.174022 0.403601
H -5.719857 -0.584010 0.759425
H -5.768523 0.074850 -0.873189
H -5.852839 2.440506 0.081078
H -5.805723 1.776088 1.721060
H -3.556198 1.283283 -0.477649
H -3.508679 0.613176 1.202620
H 6.468656 -0.659431 -0.600184
H 6.908995 -1.615211 0.830872
H 6.319310 0.052467 1.003155
H 4.727878 -2.588336 -1.280652
H 5.192931 -3.492143 0.172771
H 3.499589 -3.054554 -0.110279
H 1.773212 3.066302 -2.406429
H 0.560200 3.967698 -1.471019
H 0.230512 2.307800 -2.011254
H 3.613320 3.250160 -0.325387
H 2.383095 4.356592 0.297539
H 2.939847 3.011786 1.293899
H -7.985300 0.552340 1.286440
H -8.159832 2.293104 1.043256
H -8.032999 1.215005 -0.350459
H 0.117185 -3.429309 -1.339094
H -2.412520 -3.016719 -1.173783


%chk=000198301-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000198301

0 1
S 2.630812 0.064909 2.297546
P 2.790458 -0.015311 0.240090
O 4.283422 -0.517357 -0.433281
O 2.586736 1.377137 -0.727643
O 1.804131 -1.308213 -0.555446
O -3.639592 -0.894972 -0.353800
N -0.130602 -0.065933 -0.084028
N -1.500949 0.059088 -0.028672
C 5.197123 -1.421969 0.356329
C 1.744233 2.536244 -0.220678
C -5.724652 0.255360 0.086087
C -6.436297 1.549164 0.548689
C -4.204342 0.405141 0.119149
C 6.565559 -1.219247 -0.298282
C 4.687694 -2.867961 0.300623
C 1.090699 3.105962 -1.480801
C 2.667472 3.515500 0.511054
C -7.973858 1.415099 0.521309
C 0.422880 -1.231234 -0.501760
C -2.265856 -1.005191 -0.401974
C -0.338117 -2.368258 -0.901053
C -1.725568 -2.249471 -0.850038
H 5.201785 -1.055170 1.402732
H 0.976699 2.113735 0.453007
H -6.022514 -0.589697 0.736249
H -6.043609 -0.000958 -0.942717
H -6.127042 2.393827 -0.099898
H -6.105957 1.806401 1.575548
H -3.844128 1.209905 -0.548703
H -3.819654 0.607446 1.136048
H 6.537228 -1.534616 -1.355639
H 7.325864 -1.823308 0.229740
H 6.863520 -0.158427 -0.256966
H 4.613315 -3.209073 -0.746586
H 5.389811 -3.530293 0.840285
H 3.693930 -2.961463 0.771695
H 1.858806 3.431130 -2.204356
H 0.466971 3.978917 -1.213427
H 0.448217 2.347266 -1.956777
H 3.466673 3.872669 -0.162184
H 2.083489 4.388970 0.856717
H 3.127438 3.037625 1.393273
H -8.312061 0.595264 1.182302
H -8.464325 2.346113 0.858811
H -8.334926 1.193371 -0.500420
H 0.165605 -3.280052 -1.228697
H -2.396716 -3.063169 -1.134356


