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	hartrees
Energy at 0K	-831.291625
Energy at 298.15K
HF Energy	-831.081113
Nuclear repulsion energy	138.715463

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A	3238	3091	3.90	42.49	0.75	0.86
2	A	3216	3070	2.28	71.94	0.75	0.86
3	A	3119	2977	8.06	100.58	0.04	0.07
4	A	2451	2340	22.18	144.14	0.36	0.53
5	A	1572	1501	11.37	16.23	0.67	0.80
6	A	1558	1487	11.84	24.15	0.75	0.86
7	A	1426	1361	5.97	2.06	0.41	0.58
8	A	1013	967	8.74	7.09	0.69	0.82
9	A	1008	962	4.02	9.63	0.75	0.86
10	A	797	761	3.05	30.54	0.73	0.84
11	A	638	609	1.41	19.16	0.38	0.55
12	A	417	398	0.28	20.07	0.26	0.42
13	A	235	224	27.97	28.68	0.75	0.86
14	A	205	195	0.46	8.18	0.66	0.80
15	A	150	143	1.07	0.46	0.74	0.85

Atom	x (Å)	y (Å)	z (Å)
C1	-1.677	0.811	-0.001
S2	-0.597	-0.765	0.008
S3	1.477	0.237	-0.087
H4	1.648	0.342	1.274
H5	-1.441	1.399	-0.886
H6	-2.708	0.453	-0.040
H7	-1.503	1.380	0.911

	C1	S2	S3	H4	H5	H6	H7
C1		1.9105	3.2067	3.5916	1.0885	1.0922	1.0888
S2	1.9105		2.3055	2.8048	2.4889	2.4374	2.4970
S3	3.2067	2.3055		1.3752	3.2409	4.1907	3.3434
H4	3.5916	2.8048	1.3752		3.9148	4.5508	3.3368
H5	1.0885	2.4889	3.2409	3.9148		1.7936	1.7985
H6	1.0922	2.4374	4.1907	4.5508	1.7936		1.7932
H7	1.0888	2.4970	3.3434	3.3368	1.7985	1.7932

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S2	S3	98.600	S2	C1	H5	109.082
S2	C1	H6	105.248	S2	C1	H7	109.657
S2	S3	H4	95.976	H5	C1	H6	110.668
H5	C1	H7	111.384	H6	C1	H7	110.608

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

using model chemistry: MP2/3-21G

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: MP2/3-21G

States and conformations

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