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	hartrees
Energy at 0K	-1189.331219
Energy at 298.15K	-1189.333131
HF Energy	-1189.262698
Nuclear repulsion energy	178.415254

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	2449	2332	46.61
2	A'	800	761	4.37
3	A'	401	382	0.88
4	A'	280	267	31.37
5	A'	152	145	0.13
6	A"	2449	2331	0.09
7	A"	797	759	0.69
8	A"	399	380	20.65
9	A"	245	233	13.39

Atom	x (Å)	y (Å)	z (Å)
S1	-0.055	0.958	0.000
S2	-0.055	-0.445	1.811
S3	-0.055	-0.445	-1.811
H4	1.314	-0.541	1.921
H5	1.314	-0.541	-1.921

	S1	S2	S3	H4	H5
S1		2.2911	2.2911	2.7943	2.7943
S2	2.2911		3.6225	1.3760	3.9761
S3	2.2911	3.6225		3.9761	1.3760
H4	2.7943	1.3760	3.9761		3.8416
H5	2.7943	3.9761	1.3760	3.8416

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
S1	S2	H4	96.061		S1	S3	H5	96.061
S2	S1	S3	104.476

All results from a given calculation for HSSSH (trisulfane)

using model chemistry: B2PLYP=FULL/3-21G

States and conformations

Conformer 1 (C2 trans)

Conformer 2 (CS cis)

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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