%chk=000191447.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000191447

0 1
S 0.165964 0.844027 -0.870181
O 0.605434 -1.612506 -0.044874
N -3.706982 0.020822 0.041231
N 4.507915 1.036563 -0.824599
C -2.301981 0.504347 0.251718
C -4.704325 0.871453 0.770895
C -3.839690 -1.427376 0.417453
C -1.515978 0.167615 -1.015047
C -4.851320 2.224975 0.074326
C -5.067710 -2.030757 -0.265547
C 1.124719 -0.558036 -0.287354
C 2.548239 -0.208458 -0.132855
C 3.291341 -0.827585 0.888098
C 3.198587 0.715390 -0.977578
C 4.636661 -0.497651 1.050085
C 5.209370 0.442996 0.176675
H -1.817331 0.058927 1.147977
H -2.307519 1.606116 0.415634
H -5.685394 0.343933 0.749217
H -4.445669 1.016023 1.841919
H -2.929098 -1.966988 0.070021
H -3.895875 -1.582997 1.516381
H -1.987973 0.616849 -1.912714
H -1.477997 -0.928078 -1.191919
H -3.944183 2.833902 0.160507
H -5.045864 2.092039 -0.998870
H -5.682174 2.797323 0.498709
H -6.003131 -1.626449 0.137020
H -5.063228 -1.811310 -1.342194
H -5.089909 -3.118385 -0.143497
H 2.810883 -1.560526 1.542129
H 2.680121 1.213921 -1.810810
H 5.233698 -0.959510 1.833686
H 6.262699 0.738793 0.265459


%chk=000191447-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000191447

0 1
S 0.174801 1.125473 -1.219733
O 0.359051 -1.309130 0.020011
N -3.638551 0.111745 0.151279
N 4.538340 1.179204 -0.220481
C -2.320204 0.783655 0.137299
C -4.740240 0.929800 0.719107
C -3.579205 -1.280566 0.674388
C -1.599564 0.458035 -1.186964
C -5.193769 2.060380 -0.224234
C -4.651100 -2.199644 0.057921
C 1.000041 -0.287705 -0.340354
C 2.468460 -0.132634 -0.107476
C 3.175032 -1.217863 0.477657
C 3.198599 1.042251 -0.433267
C 4.559236 -1.089856 0.703996
C 5.197517 0.119623 0.339344
H -1.679443 0.472113 0.993628
H -2.458794 1.876549 0.218611
H -5.598062 0.255814 0.897183
H -4.462168 1.357083 1.715527
H -2.578321 -1.686770 0.437265
H -3.665896 -1.293982 1.789768
H -2.108946 0.915133 -2.049469
H -1.519268 -0.631130 -1.333617
H -4.375177 2.772781 -0.435614
H -5.533843 1.637953 -1.185732
H -6.025375 2.632456 0.228109
H -5.674618 -1.841259 0.272110
H -4.529886 -2.243153 -1.038481
H -4.562391 -3.223769 0.466354
H 2.626265 -2.128575 0.737844
H 2.699087 1.910979 -0.877398
H 5.137424 -1.904180 1.151086
H 6.273271 0.258592 0.495432


