%chk=000215481.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000215481

0 1
S 5.522740 -0.717211 0.291222
O 0.380607 -1.979311 -0.136239
O 0.359031 2.018051 -0.287292
O 6.582604 0.275333 0.298408
O 5.426879 -1.711150 1.337263
N -4.250426 -1.349903 -0.344606
N -0.787764 -0.209499 0.709040
N 5.707030 -1.593732 -1.174207
C -5.124931 1.053698 0.102761
C -3.088979 -0.393937 -0.244082
C -3.578793 1.036458 0.115497
C -5.633159 0.091166 1.200003
C -5.624638 0.550678 -1.271203
C -5.067492 -1.320536 0.915226
C -5.121705 -0.897927 -1.483882
C -2.064830 -0.956980 0.768901
C 0.354766 -0.796636 0.174109
C 1.580917 0.057800 0.085752
C 2.811802 -0.602099 0.216730
C 1.598524 1.447979 -0.168657
C 4.016919 0.097221 0.112399
C 2.805065 2.162130 -0.282546
C 4.007453 1.476606 -0.138526
C 0.266302 3.433877 -0.595788
H -5.497150 2.081809 0.291771
H -2.598835 -0.371670 -1.252808
H -3.179566 1.765772 -0.607273
H -3.211807 1.349993 1.106872
H -6.735840 0.073039 1.212606
H -5.321016 0.443296 2.196904
H -5.261474 1.210842 -2.076033
H -6.725801 0.589336 -1.315136
H -4.436400 -1.673581 1.754815
H -5.885783 -2.061589 0.808860
H -5.970885 -1.604906 -1.572490
H -4.541132 -0.986481 -2.423958
H -1.876586 -2.039036 0.541091
H -2.453320 -0.911007 1.809273
H -0.839301 0.792959 0.875676
H 2.804266 -1.688234 0.405141
H 2.812918 3.230029 -0.477793
H 4.958290 2.023455 -0.217121
H 6.441207 -1.311332 -1.818630
H 5.662653 -2.609982 -1.140118
H 0.701780 4.026155 0.214482
H -0.821461 3.576540 -0.652764
H 0.738819 3.642616 -1.560652


%chk=000215481-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000215481

0 1
S 5.303954 -1.014486 -0.641528
O 0.156225 -1.823962 0.411897
O 0.531259 2.392993 0.877461
O 6.637686 -0.106586 -0.406432
O 5.098910 -2.486049 0.020544
N -4.295131 -1.448262 0.301853
N -0.909807 0.127535 1.092357
N 5.163646 -1.181937 -2.472910
C -4.951506 0.729715 -0.960407
C -3.065557 -0.622544 0.055990
C -3.455429 0.779987 -0.537039
C -5.820536 0.581821 0.318795
C -5.189558 -0.506440 -1.873510
C -5.312903 -0.688507 1.094708
C -4.890911 -1.799625 -1.026078
C -2.195299 -0.545168 1.334460
C 0.185522 -0.569263 0.633021
C 1.470437 0.212110 0.407805
C 2.591066 -0.573459 0.048183
C 1.652237 1.627839 0.512520
C 3.820052 0.045134 -0.195881
C 2.914119 2.226081 0.263584
C 4.017256 1.430118 -0.098595
C 0.667670 3.852286 0.983030
H -5.222628 1.656318 -1.499294
H -2.471044 -1.186696 -0.687338
H -2.814001 1.034170 -1.401395
H -3.318407 1.582737 0.217680
H -6.885812 0.476983 0.036941
H -5.734085 1.491534 0.943769
H -4.528350 -0.451056 -2.759743
H -6.232592 -0.506970 -2.243276
H -4.866588 -0.412318 2.066083
H -6.146553 -1.380078 1.312880
H -5.816839 -2.372823 -0.835723
H -4.188156 -2.470316 -1.551911
H -1.996224 -1.573898 1.678300
H -2.722051 0.004665 2.136681
H -0.816365 1.142347 1.204627
H 2.447940 -1.658466 -0.011176
H 3.047776 3.307057 0.351186
H 5.005813 1.864078 -0.278446
H 6.088683 -0.949612 -2.872762
H 4.857957 -2.144988 -2.692098
H 1.400871 4.125005 1.764100
H -0.331613 4.211328 1.268176
H 0.960364 4.291766 0.011910


