%chk=000206571.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000206571

0 1
S -6.098639 -0.622875 -0.940643
O -1.220523 0.042484 0.238917
O 4.147778 -0.505834 1.397487
O 1.056618 3.265852 -0.035796
O 5.587533 -0.325124 -0.421027
N -0.909300 2.631488 0.890161
C -3.455038 -0.418868 -0.247238
C -2.106719 -1.097152 0.001738
C 0.112138 -0.197792 0.488555
C -4.524366 -1.449984 -0.569772
C 0.898699 0.971738 0.612644
C 0.671142 -1.477599 0.618351
C 2.263689 0.834637 0.877445
C 2.814551 -0.448984 1.018525
C 2.034085 -1.604824 0.892522
C 0.378459 2.363402 0.431671
C 5.064823 -1.216010 0.537897
C -6.757799 -0.227667 0.691932
C 4.766354 -0.072502 -1.580117
H -3.349693 0.317419 -1.075500
H -3.735225 0.185907 0.639901
H -2.105665 -1.736755 0.899925
H -1.736060 -1.651189 -0.877064
H -4.652967 -2.181198 0.248819
H -4.267083 -2.032368 -1.478907
H 0.062515 -2.371626 0.521109
H 2.905364 1.719227 0.972490
H 2.480613 -2.589218 1.021054
H 4.601806 -2.106843 0.096252
H 5.922227 -1.398150 1.215562
H -6.939091 -1.125523 1.291917
H -6.102926 0.447260 1.251943
H -7.721789 0.280730 0.544719
H -1.558873 1.895903 1.126383
H -1.308797 3.541272 0.713399
H 5.412887 0.572600 -2.189560
H 3.858964 0.466112 -1.288577
H 4.535110 -1.002543 -2.103616


%chk=000206571-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000206571

0 1
S -6.631793 -1.086624 -0.434301
O -1.544877 0.252299 0.085818
O 4.070204 -0.183780 0.543767
O 0.973689 3.649811 0.641701
O 6.171393 -1.210990 0.290055
N -1.197997 2.890273 0.360151
C -3.843544 -0.454015 -0.153540
C -2.389952 -0.940566 -0.096886
C -0.142554 0.083149 0.187602
C -4.823679 -1.629302 -0.328755
C 0.659849 1.253702 0.376592
C 0.469290 -1.187068 0.112002
C 2.057369 1.096291 0.483072
C 2.672599 -0.172017 0.406976
C 1.871309 -1.324540 0.220489
C 0.161323 2.685647 0.470954
C 4.776937 -1.459197 0.274306
C -6.920878 -0.602060 1.362892
C 6.631616 -0.330774 -0.799757
H -3.962619 0.253190 -0.994447
H -4.071013 0.097885 0.777642
H -2.233343 -1.636199 0.753462
H -2.104364 -1.453800 -1.038280
H -4.739529 -2.359593 0.497220
H -4.644436 -2.163279 -1.279066
H -0.131459 -2.089571 -0.029368
H 2.659616 1.998396 0.628981
H 2.307369 -2.326850 0.171485
H 4.424483 -1.846497 -0.711312
H 4.584368 -2.181568 1.088123
H -6.677517 -1.447072 2.027491
H -6.330921 0.286493 1.636231
H -7.993492 -0.368127 1.448198
H -1.829009 2.096522 0.221056
H -1.535980 3.849733 0.417875
H 7.728345 -0.311836 -0.719547
H 6.220954 0.686115 -0.677521
H 6.333044 -0.738777 -1.787860


