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	hartrees
Energy at 0K	-832.587211
Energy at 298.15K
HF Energy	-832.465962
Nuclear repulsion energy	148.440877

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	3183	3183	5.68	51.97	0.75	0.86
2	A	3165	3165	4.71	76.98	0.75	0.86
3	A	3084	3084	13.19	116.79	0.03	0.06
4	A	2674	2674	16.06	144.03	0.31	0.48
5	A	1565	1565	11.38	17.89	0.73	0.84
6	A	1549	1549	12.38	25.39	0.75	0.86
7	A	1436	1436	0.83	6.29	0.42	0.59
8	A	1034	1034	13.15	6.41	0.62	0.76
9	A	1028	1028	5.61	7.04	0.75	0.86
10	A	928	928	9.08	32.41	0.67	0.80
11	A	684	684	1.14	13.94	0.32	0.49
12	A	500	500	0.67	15.36	0.28	0.43
13	A	335	335	20.40	12.76	0.75	0.86
14	A	246	246	0.11	5.56	0.62	0.76
15	A	169	169	0.66	0.05	0.74	0.85

Atom	x (Å)	y (Å)	z (Å)
C1	-1.652	0.690	-0.006
S2	-0.473	-0.713	0.016
S3	1.351	0.247	-0.088
H4	1.560	0.470	1.225
H5	-1.487	1.311	-0.887
H6	-2.653	0.250	-0.052
H7	-1.561	1.289	0.900

	C1	S2	S3	H4	H5	H6	H7
C1		1.8334	3.0371	3.4472	1.0899	1.0935	1.0903
S2	1.8334		2.0636	2.6440	2.4375	2.3844	2.4445
S3	3.0371	2.0636		1.3476	3.1346	4.0038	3.2471
H4	3.4472	2.6440	1.3476		3.8014	4.4072	3.2433
H5	1.0899	2.4375	3.1346	3.8014		1.7831	1.7885
H6	1.0935	2.3844	4.0038	4.4072	1.7831		1.7822
H7	1.0903	2.4445	3.2471	3.2433	1.7885	1.7822

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S2	S3	102.238	S2	C1	H5	110.386
S2	C1	H6	106.344	S2	C1	H7	110.882
S2	S3	H4	99.482	H5	C1	H6	109.511
H5	C1	H7	110.239	H6	C1	H7	109.394

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

using model chemistry: B2PLYP=FULLultrafine/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: B2PLYP=FULLultrafine/3-21G*

States and conformations

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