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	hartrees
Energy at 0K	-835.651383
Energy at 298.15K
HF Energy	-835.210691
Nuclear repulsion energy	148.471480

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3192	3032	7.20
2	A	3178	3018	6.36
3	A	3088	2933	17.42
4	A	2673	2539	24.28
5	A	1531	1454	9.44
6	A	1511	1435	8.74
7	A	1428	1356	2.63
8	A	1028	976	9.12
9	A	1025	973	5.39
10	A	926	880	9.93
11	A	741	704	0.95
12	A	520	494	0.51
13	A	315	299	20.17
14	A	248	235	0.11
15	A	180	171	0.62

Atom	x (Å)	y (Å)	z (Å)
C1	-1.635	0.694	-0.006
S2	-0.484	-0.711	0.015
S3	1.353	0.242	-0.088
H4	1.565	0.449	1.231
H5	-1.480	1.312	-0.893
H6	-2.644	0.269	-0.036
H7	-1.533	1.306	0.895

	C1	S2	S3	H4	H5	H6	H7
C1		1.8168	3.0238	3.4397	1.0926	1.0954	1.0932
S2	1.8168		2.0733	2.6505	2.4311	2.3727	2.4374
S3	3.0238	2.0733		1.3515	3.1335	3.9983	3.2292
H4	3.4397	2.6505	1.3515		3.8114	4.3997	3.2319
H5	1.0926	2.4311	3.1335	3.8114		1.7830	1.7890
H6	1.0954	2.3727	3.9983	4.3997	1.7830		1.7819
H7	1.0932	2.4374	3.2292	3.2319	1.7890	1.7819

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S2	S3	101.828	S2	C1	H5	110.891
S2	C1	H6	106.481	S2	C1	H7	111.335
S2	S3	H4	99.240	H5	C1	H6	109.158
H5	C1	H7	109.869	H6	C1	H7	109.014

All results from a given calculation for CH₃SSH (Hydrogen methyl disulfide)

using model chemistry: CCSD=FULL/6-31G*

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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All results from a given calculation for CH3SSH (Hydrogen methyl disulfide)

using model chemistry: CCSD=FULL/6-31G*

States and conformations

All results from a given calculation for CH₃SSH (Hydrogen methyl disulfide)