%chk=000279694.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000279694

0 1
S 1.815893 1.853241 0.388040
S -1.815668 1.853470 -0.388127
O 1.720665 1.684377 1.826466
O 1.586499 3.133746 -0.233494
O -1.720851 1.684347 -1.826549
O -1.585759 3.134037 0.233093
N 3.381742 1.328764 -0.134125
N -3.381507 1.329496 0.134571
C 0.680440 0.663709 -0.359740
C -0.680350 0.663772 0.359583
C 1.349218 -0.689114 -0.320887
C -1.349302 -0.688967 0.320683
C 1.717769 -1.315618 -1.521481
C -1.717846 -1.315509 1.521259
C 1.609430 -1.327597 0.903745
C -1.609691 -1.327333 -0.903976
C 4.080060 2.280862 -1.035857
C 4.264768 0.821516 0.946053
C -4.079422 2.282057 1.036128
C -4.264878 0.822075 -0.945242
C 2.341760 -2.566416 -1.494614
C -2.341991 -2.566229 1.494351
C 2.229907 -2.577926 0.922046
C -2.230320 -2.577585 -0.922318
C 2.598249 -3.200324 -0.275695
C -2.598645 -3.200023 0.275408
H 0.516551 0.948087 -1.440925
H -0.516409 0.948085 1.440780
H 1.522485 -0.831327 -2.476830
H -1.522440 -0.831303 2.476628
H 1.321734 -0.847349 1.842028
H -1.322028 -0.847041 -1.842251
H 3.383587 2.663666 -1.805033
H 4.893979 1.749728 -1.558588
H 4.511267 3.155215 -0.520115
H 3.712968 0.106627 1.584194
H 4.673794 1.609469 1.599960
H 5.109045 0.271331 0.495291
H -3.382673 2.665058 1.804959
H -4.893273 1.751250 1.559297
H -4.510644 3.156271 0.520166
H -3.713426 0.106688 -1.583125
H -4.673709 1.609874 -1.599456
H -5.109293 0.272402 -0.494114
H 2.626871 -3.047292 -2.429088
H -2.627094 -3.047135 2.428813
H 2.424065 -3.071041 1.873406
H -2.424611 -3.070608 -1.873698
H 3.080794 -4.175120 -0.257863
H -3.081307 -4.174760 0.257543


%chk=000279694-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000279694

0 1
S 1.825370 1.915969 0.295988
S -1.824813 1.916327 -0.295568
O 1.579101 1.882244 1.920432
O 1.589215 3.278876 -0.563207
O -1.578309 1.882801 -1.919980
O -1.588614 3.279073 0.563872
N 3.621178 1.299325 -0.096866
N -3.620734 1.299757 0.096917
C 0.593952 0.384035 -0.478401
C -0.593718 0.384108 0.478739
C 1.418254 -0.850518 -0.607142
C -1.418334 -0.850250 0.607334
C 1.981604 -1.166407 -1.873112
C -1.981463 -1.166323 1.873357
C 1.675283 -1.711764 0.495001
C -1.676111 -1.710984 -0.495040
C 4.366807 2.382877 -0.789087
C 4.269364 0.834281 1.156834
C -4.366507 2.383324 0.788966
C -4.268630 0.834652 -1.156912
C 2.768794 -2.323269 -2.040634
C -2.769040 -2.322941 2.040734
C 2.468912 -2.864042 0.328384
C -2.470153 -2.863000 -0.328572
C 3.017057 -3.175702 -0.939054
C -3.017986 -3.174899 0.938941
H 0.356891 0.858909 -1.450787
H -0.356566 0.858847 1.451170
H 1.797960 -0.501172 -2.725074
H -1.797322 -0.501433 2.725481
H 1.247776 -1.482894 1.477183
H -1.248909 -1.481901 -1.477301
H 3.706094 2.885046 -1.514374
H 5.196076 1.898612 -1.337528
H 4.779658 3.151304 -0.102039
H 3.633135 0.091531 1.660846
H 4.499742 1.650701 1.872485
H 5.212161 0.339857 0.856551
H -3.705949 2.885533 1.514366
H -5.195878 1.899067 1.337259
H -4.779230 3.151722 0.101810
H -3.632287 0.091858 -1.660723
H -4.498817 1.651032 -1.872669
H -5.211509 0.340261 -0.856830
H 3.190751 -2.559273 -3.023530
H -3.190789 -2.559110 3.023680
H 2.658238 -3.522560 1.183249
H -2.660049 -3.521124 -1.183613
H 3.630087 -4.074885 -1.066454
H -3.631341 -4.073877 1.066223


