%chk=000272450.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000272450

0 1
S -2.762958 -0.416721 -1.541350
O -1.864447 -1.070440 -0.250125
O 1.181852 -4.659514 0.227755
O 2.989187 -3.785137 1.268536
O -3.423653 -1.541244 -2.158364
O -1.773030 0.319137 -2.293481
O -0.601971 1.583099 1.325214
O 0.185139 -0.149896 2.348744
O 4.898954 3.648227 -0.865615
O 3.479674 4.391585 0.591467
N 1.389879 -1.602347 -0.306868
N 0.238616 0.718993 1.499294
N 3.927525 3.526566 -0.141028
C -0.988096 -2.175226 -0.515406
C 1.012824 -2.368972 0.920577
C -0.502280 -2.630402 0.872092
C 0.264992 -1.708794 -1.292738
C 1.925716 -0.271682 -0.158624
C 1.870028 -3.641503 0.843129
C 1.448048 0.790961 0.643735
C 3.071190 -0.045143 -0.961402
C 2.097356 2.037593 0.639473
C -3.841858 0.583568 -0.690468
C 3.726656 1.175588 -0.958079
C 3.234143 2.218853 -0.148228
C 1.888755 -5.920775 0.071007
C -3.375787 1.718834 -0.011196
C -5.208739 0.266723 -0.659693
C -4.267492 2.534374 0.682668
C -6.102896 1.080004 0.030847
C -5.638442 2.222548 0.709563
C -6.583886 3.097621 1.458710
H -1.561135 -2.958162 -1.058441
H 1.308575 -1.842863 1.871380
H -1.026677 -2.045136 1.661759
H -0.749735 -3.692258 1.055027
H 0.089804 -0.760845 -1.853194
H 0.569617 -2.476876 -2.040209
H 3.443647 -0.869159 -1.583107
H 1.711503 2.872731 1.245989
H 4.621364 1.342861 -1.573001
H 2.699068 -5.788287 -0.652405
H 2.282590 -6.252520 1.037293
H 1.106556 -6.587564 -0.305993
H -2.305793 1.969538 -0.016699
H -5.575824 -0.625049 -1.183113
H -3.896643 3.412006 1.211727
H -7.162320 0.829116 0.047967
H -6.507316 4.147330 1.135412
H -6.367694 3.082049 2.539086
H -7.635187 2.802208 1.339272


%chk=000272450-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000272450

0 1
S -3.347047 -0.592047 -2.168952
O -2.510603 -1.717112 -0.891200
O 2.178046 -2.941863 0.842047
O 0.836792 -3.001317 2.749334
O -4.447058 -1.418410 -3.019006
O -2.182833 0.208500 -2.971998
O 1.381225 0.934734 3.015342
O -0.435488 0.496850 1.706688
O 5.481633 2.415135 -1.540221
O 5.183462 2.815534 0.691083
N 0.400015 -1.299743 -0.489794
N 0.852000 0.611661 1.883039
N 4.834786 2.267819 -0.427732
C -1.402987 -2.592284 -1.320562
C -0.093749 -2.094033 0.663762
C -0.939426 -3.228380 0.005762
C -0.152604 -1.811041 -1.772708
C 1.355676 -0.309212 -0.457702
C 1.004696 -2.699616 1.549402
C 1.724809 0.463208 0.709869
C 2.115981 -0.041427 -1.651463
C 2.882681 1.268881 0.728889
C -4.176649 0.464238 -0.866734
C 3.227613 0.796193 -1.653146
C 3.634234 1.419695 -0.442967
C 3.285282 -3.552580 1.626292
C -3.374139 1.095664 0.099550
C -5.573655 0.577235 -0.927035
C -4.030165 1.900698 1.053232
C -6.198787 1.398583 0.038015
C -5.442839 2.069082 1.034889
C -6.121338 2.941489 2.073348
H -1.745921 -3.325266 -2.072137
H -0.733520 -1.474727 1.317694
H -1.783913 -3.526897 0.643123
H -0.318081 -4.115368 -0.215809
H -0.402917 -0.981556 -2.453114
H 0.553176 -2.507726 -2.271746
H 1.845591 -0.554451 -2.576526
H 3.155894 1.809890 1.638610
H 3.813097 0.963696 -2.560850
H 3.557609 -2.892439 2.466096
H 2.974110 -4.534810 2.018766
H 4.112926 -3.649958 0.910968
H -2.289798 0.956032 0.137814
H -6.148730 0.046317 -1.692125
H -3.431829 2.394157 1.827077
H -7.287836 1.514085 0.014687
H -5.712917 3.968702 2.058868
H -5.957832 2.543886 3.092332
H -7.209275 3.005899 1.905845


