%chk=000222717.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000222717

0 1
S -0.597745 0.847185 1.253478
O -2.099234 -1.289371 -2.238259
O -4.191756 1.569316 2.006276
O 1.453422 -3.423956 -0.395933
N -2.491038 -0.552178 0.020807
N 0.676940 -1.283356 -0.555691
N -5.277721 0.141949 0.626063
C -1.345517 -0.782022 0.961625
C -3.000102 0.834490 -0.025046
C -1.814849 1.817522 0.215923
C -0.651576 -1.662882 -0.125041
C -1.795716 -1.194708 -1.093849
C -2.144391 3.068024 0.992701
C -1.120038 2.138023 -1.099447
C -4.158863 0.893601 0.996564
C 1.692901 -2.254167 -0.632947
C 3.049228 -1.756816 -1.090011
C 3.445596 -0.419095 -0.536867
C 3.622704 0.676243 -1.394121
C 3.646946 -0.265531 0.843953
C 4.001142 1.916554 -0.871150
C 4.020652 0.977308 1.359675
C 4.198975 2.070122 0.504028
H -1.615408 -1.285016 1.907115
H -3.436057 1.036344 -1.045539
H -0.702408 -2.764139 0.091988
H -2.515746 2.846087 2.014178
H -1.278822 3.732319 1.107193
H -2.941566 3.650267 0.510684
H -0.164683 2.659307 -0.939729
H -0.898580 1.251137 -1.705744
H -1.732012 2.806112 -1.722596
H 0.889208 -0.283818 -0.615959
H -6.031259 0.047029 1.294457
H -5.210233 -0.603661 -0.050428
H 3.810256 -2.523673 -0.803622
H 3.064030 -1.761213 -2.203759
H 3.473431 0.565342 -2.466318
H 3.510266 -1.113876 1.513540
H 4.143365 2.764727 -1.539542
H 4.172627 1.095448 2.432265
H 4.491935 3.036921 0.909283


%chk=000222717-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000222717

0 1
S -0.790399 0.607055 1.602492
O -1.497553 -0.460674 -2.624040
O -5.040466 2.054607 0.684809
O 1.251447 -3.646635 -0.734159
N -2.404137 -0.322225 -0.363117
N 0.756138 -1.396242 -0.401534
N -4.890392 -0.266756 0.736202
C -1.532750 -0.888098 0.711050
C -2.978649 1.020300 -0.164711
C -1.882627 1.897224 0.588906
C -0.668075 -1.594975 -0.404546
C -1.526466 -0.745805 -1.417647
C -2.416351 2.919990 1.607262
C -0.968813 2.579556 -0.454762
C -4.389633 0.990499 0.474431
C 1.641347 -2.452533 -0.574450
C 3.142446 -2.092426 -0.552865
C 3.485588 -0.616120 -0.446453
C 3.582464 0.189871 -1.611981
C 3.689742 -0.005762 0.818838
C 3.876847 1.568441 -1.515739
C 3.984678 1.373029 0.919143
C 4.079114 2.164842 -0.248733
H -2.025620 -1.537913 1.448557
H -3.119794 1.470347 -1.166547
H -0.853711 -2.681173 -0.492138
H -2.992155 2.441298 2.414306
H -1.568924 3.467934 2.057496
H -3.082297 3.643105 1.106057
H -0.084265 3.023317 0.033213
H -0.613778 1.873617 -1.225768
H -1.525763 3.390848 -0.962990
H 1.121284 -0.453811 -0.230038
H -5.836604 -0.348643 1.107073
H -4.375522 -1.096717 0.442232
H 3.578023 -2.664145 0.287733
H 3.564931 -2.534948 -1.473461
H 3.428230 -0.266689 -2.597355
H 3.622402 -0.614564 1.728878
H 3.952431 2.174028 -2.425753
H 4.143135 1.826193 1.904028
H 4.312804 3.232655 -0.173722


