%chk=000209060.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000209060

0 1
S -6.553652 0.165633 -1.090845
S -7.238613 0.026208 0.843821
O 3.420955 0.482669 0.094207
O -6.158738 1.109628 1.536011
O -8.518307 0.641504 0.950577
O -6.924602 -1.255576 1.373400
N -2.599840 -0.567924 -0.479344
C -0.144320 -0.539412 -0.238526
C 1.101915 0.337892 -0.098791
C -1.418144 0.321786 -0.254212
C 2.370780 -0.513724 -0.100070
C -3.884627 0.199766 -0.462676
C -4.967256 -0.726355 -1.012816
C 4.729913 0.047390 0.119054
C 5.670629 1.102949 0.272401
C 5.130878 -1.285958 0.009593
C 7.023269 0.768103 0.313411
C 5.213886 2.517529 0.396146
C 6.500305 -1.583820 0.054917
C 7.440739 -0.568142 0.205493
H -0.094478 -1.136746 -1.172981
H -0.189026 -1.275404 0.587698
H 1.156360 1.080985 -0.920725
H 1.062975 0.937516 0.833864
H -1.371515 1.049274 -1.095888
H -1.491617 0.917836 0.681239
H 2.406617 -1.231022 0.736793
H 2.540709 -1.027141 -1.061159
H -2.627729 -1.296286 0.244497
H -3.777375 1.097758 -1.114001
H -4.156965 0.579624 0.551241
H -5.065631 -1.659850 -0.419944
H -4.725674 -1.047073 -2.050823
H 4.412657 -2.089252 -0.107700
H 7.768727 1.554064 0.430757
H 4.188825 2.647081 0.013434
H 5.204763 2.835601 1.448512
H 5.860499 3.209496 -0.157628
H 6.822935 -2.620559 -0.029079
H 8.501395 -0.803502 0.239989
H -6.523024 1.772954 2.145853


%chk=000209060-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000209060

0 1
S -6.550962 0.169066 -1.362267
S -7.613076 -0.401989 0.802527
O 3.589341 0.605905 0.061222
O -7.535693 1.305864 1.539239
O -9.170204 -0.835020 0.750389
O -6.564848 -1.345746 1.609258
N -2.585646 -0.277665 -0.282279
C -0.098941 -0.313478 -0.153035
C 1.182633 0.543823 -0.051814
C -1.371869 0.554786 -0.194734
C 2.448727 -0.316762 -0.047324
C -3.869424 0.407106 -0.484361
C -4.914739 -0.628591 -0.937594
C 4.887044 0.055778 0.076819
C 5.941628 1.010807 0.182662
C 5.157177 -1.331130 -0.004941
C 7.268008 0.525574 0.201390
C 5.623166 2.489265 0.271027
C 6.497359 -1.783383 0.016526
C 7.557006 -0.858737 0.119233
H -0.072358 -0.944773 -1.062407
H -0.153052 -1.003982 0.715281
H 1.236511 1.248933 -0.903410
H 1.164190 1.154390 0.871201
H -1.344903 1.209814 -1.087906
H -1.387266 1.231208 0.695130
H 2.450208 -1.018638 0.813500
H 2.529852 -0.907361 -0.984236
H -2.623995 -1.023272 0.424888
H -3.730443 1.169742 -1.274190
H -4.250332 0.939564 0.417845
H -5.114891 -1.361477 -0.127586
H -4.580547 -1.188996 -1.830407
H 4.345056 -2.059797 -0.084247
H 8.088771 1.248550 0.282056
H 5.059377 2.830053 -0.616969
H 4.983580 2.707847 1.146015
H 6.546556 3.087754 0.352019
H 6.704447 -2.857481 -0.047327
H 8.595599 -1.205531 0.136018
H -8.224450 1.343479 2.268488


