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	hartrees
Energy at 0K	-836.042909
Energy at 298.15K
HF Energy	-835.320388
Nuclear repulsion energy	150.567613

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	3210	3072	2.57	49.08	0.75	0.86
2	A	3195	3058	2.64	73.86	0.74	0.85
3	A	3090	2958	13.13	174.56	0.02	0.04
4	A	2707	2590	1.29	144.20	0.23	0.37
5	A	1498	1433	7.95	5.09	0.73	0.84
6	A	1477	1413	9.21	5.96	0.75	0.86
7	A	1354	1296	1.99	0.29	0.45	0.62
8	A	990	947	5.56	1.52	0.16	0.27
9	A	985	943	2.84	0.79	0.39	0.56
10	A	901	863	5.02	9.39	0.52	0.68
11	A	739	707	1.40	11.96	0.25	0.40
12	A	542	519	0.46	10.59	0.16	0.27
13	A	330	316	13.20	2.50	0.75	0.86
14	A	246	235	0.12	4.41	0.57	0.73
15	A	179	172	0.32	0.03	0.65	0.78

Atom	x (Å)	y (Å)	z (Å)
C1	-1.617	0.685	-0.006
S2	-0.471	-0.703	0.015
S3	1.331	0.242	-0.087
H4	1.525	0.444	1.221
H5	-1.456	1.293	-0.887
H6	-2.614	0.255	-0.038
H7	-1.511	1.283	0.890

	C1	S2	S3	H4	H5	H6	H7
C1		1.8004	2.9827	3.3817	1.0824	1.0857	1.0827
S2	1.8004		2.0379	2.5990	2.4016	2.3476	2.4070
S3	2.9827	2.0379		1.3378	3.0844	3.9453	3.1807
H4	3.3817	2.5990	1.3378		3.7484	4.3298	3.1669
H5	1.0824	2.4016	3.0844	3.7484		1.7714	1.7779
H6	1.0857	2.3476	3.9453	4.3298	1.7714		1.7706
H7	1.0827	2.4070	3.1807	3.1669	1.7779	1.7706

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S2	S3	101.812	S2	C1	H5	110.344
S2	C1	H6	106.208	S2	C1	H7	110.734
S2	S3	H4	98.565	H5	C1	H6	109.576
H5	C1	H7	110.405	H6	C1	H7	109.480

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

using model chemistry: MP2=FULL/cc-pVQZ

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=FULL/cc-pVQZ

States and conformations

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