%chk=000285197.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000285197

0 1
S 0.171862 1.311661 -0.340335
O 0.506724 2.701047 -0.107059
O -0.433379 0.901190 -1.598579
O -2.970530 1.891371 0.747182
N -3.023528 -0.333096 0.289128
N 5.026394 -1.950601 0.554056
C -0.887575 0.762749 0.983780
C -2.353677 0.842415 0.640382
C -4.474059 -0.241752 -0.051927
C -2.352344 -1.621801 -0.014518
C 1.584425 0.360134 -0.081690
C -5.335557 -0.815506 1.071377
C -2.021764 -1.768860 -1.497157
C 1.723158 -0.885406 -0.709020
C 2.628683 0.854396 0.712807
C 2.863219 -1.655412 -0.523487
C 3.781818 0.109458 0.919215
C 3.905268 -1.162186 0.303373
H -0.605793 -0.247319 1.341674
H -0.735748 1.420657 1.873960
H -4.736785 0.833324 -0.221512
H -4.663447 -0.775069 -1.008197
H -1.426533 -1.707228 0.599833
H -3.023256 -2.448663 0.315292
H -5.129750 -1.875010 1.253775
H -5.162960 -0.280836 2.015208
H -6.400698 -0.717415 0.831760
H -2.922752 -1.882828 -2.110295
H -1.504630 -0.869302 -1.890315
H -1.380801 -2.633463 -1.685488
H 0.923771 -1.254524 -1.364074
H 2.539019 1.848337 1.170172
H 2.957740 -2.621278 -1.009959
H 4.581046 0.499515 1.542442
H 5.840742 -1.536757 0.976617
H 5.208397 -2.754543 -0.023122


%chk=000285197-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000285197

0 1
S 0.156739 -0.753613 -0.739611
O -0.275443 0.678843 -1.405230
O 0.037865 -2.152421 -1.596094
O -2.152505 0.733717 1.942035
N -3.217058 -0.364878 0.182137
N 5.897776 -0.267191 1.149011
C -0.921369 -1.053408 0.905970
C -2.142681 -0.155256 1.023973
C -4.426973 0.463443 0.420574
C -3.267384 -1.345227 -0.931512
C 1.919836 -0.607623 -0.128132
C -5.332170 -0.131924 1.520447
C -3.277698 -0.684330 -2.328540
C 2.742224 -1.747376 -0.177856
C 2.382396 0.648519 0.306683
C 4.076027 -1.631293 0.250603
C 3.715751 0.758909 0.736752
C 4.580775 -0.379558 0.721181
H -1.114794 -2.135487 0.844284
H -0.227997 -0.801556 1.720498
H -4.092428 1.471022 0.720714
H -4.975166 0.547550 -0.533463
H -2.394429 -2.017616 -0.874251
H -4.173166 -1.970392 -0.797485
H -5.664191 -1.154147 1.261842
H -4.790436 -0.165883 2.480682
H -6.231682 0.496726 1.653410
H -4.182222 -0.070123 -2.488673
H -2.386465 -0.047085 -2.453480
H -3.257806 -1.470470 -3.104577
H 2.346453 -2.691446 -0.567217
H 1.720783 1.521107 0.288806
H 4.735957 -2.505809 0.217256
H 4.097003 1.727271 1.080560
H 6.267701 0.621912 1.473106
H 6.523475 -1.067509 1.130894


