%chk=000223201.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000223201

0 1
S 1.237147 1.976999 0.002940
O 1.441574 3.016980 0.988664
O 1.780596 2.120387 -1.319340
O -4.720468 -0.534005 -2.103568
O 3.683728 -0.357489 2.717693
N 2.062456 0.634425 0.801226
N -4.498339 0.485177 -0.043055
N 1.364079 -0.917833 -0.822024
N 2.928875 -2.946691 0.367297
N 4.504555 -2.462369 2.631350
C -0.410031 1.532611 -0.031526
C -0.959814 0.922406 -1.168151
C -1.227376 1.796663 1.078267
C -3.117981 0.822867 -0.082858
C -2.305189 0.564493 -1.201478
C -2.572162 1.449239 1.066092
C 2.127017 -0.646859 0.313076
C 2.905327 -1.700536 0.906658
C -5.235622 -0.176947 -1.068321
C 3.710942 -1.444726 2.138857
C 1.409605 -2.156965 -1.330676
C 2.201627 -3.182347 -0.736272
C -6.682598 -0.377760 -0.725359
H -0.324810 0.724063 -2.043281
H -0.804099 2.289939 1.963050
H 2.630179 0.825027 1.676882
H -2.723514 0.085659 -2.094510
H -3.191648 1.661341 1.933552
H -4.996493 0.748406 0.812252
H 0.805321 -2.349618 -2.227507
H 2.239454 -4.189483 -1.159846
H -6.825708 -1.006907 0.164061
H -7.196654 -0.888759 -1.559403
H -7.216089 0.568995 -0.561588
H 4.557132 -3.370662 2.195521
H 5.057780 -2.308321 3.460227


%chk=000223201-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000223201

0 1
S 1.222553 1.889398 0.093057
O 1.394970 3.031359 1.235288
O 1.806649 2.104531 -1.400496
O -5.009150 -0.545523 -2.148165
O 3.786764 -0.321080 2.784313
N 2.060406 0.438159 0.931601
N -4.713457 0.602226 -0.119163
N 1.566852 -1.084086 -0.817532
N 3.342265 -2.969757 0.346904
N 4.736377 -2.448626 2.609096
C -0.596324 1.427251 0.009481
C -1.086727 0.764042 -1.124881
C -1.407701 1.832711 1.082219
C -3.318076 0.859492 -0.121018
C -2.464460 0.475992 -1.194538
C -2.780893 1.539519 1.009443
C 2.256472 -0.778153 0.336149
C 3.154129 -1.751550 0.922389
C -5.487914 -0.060746 -1.084694
C 3.911743 -1.446341 2.178556
C 1.778262 -2.306687 -1.364670
C 2.664523 -3.258179 -0.796635
C -6.970920 -0.142370 -0.726785
H -0.404250 0.476157 -1.928937
H -0.978544 2.375812 1.929786
H 2.635574 0.650502 1.781320
H -2.888206 -0.037628 -2.058473
H -3.439872 1.844268 1.831773
H -5.221430 0.945488 0.700145
H 1.223935 -2.533450 -2.281513
H 2.831547 -4.236837 -1.252956
H -7.126216 -0.687373 0.222793
H -7.495903 -0.677177 -1.530653
H -7.414883 0.864984 -0.622205
H 4.775972 -3.309181 2.057476
H 5.294731 -2.319747 3.450428


