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	hartrees
Energy at 0K	-831.633546
Energy at 298.15K
HF Energy	-831.297486
Nuclear repulsion energy	141.362779

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3154	2947	7.44
2	A	2804	2620	2.88
3	A	1571	1468	4.15
4	A	1297	1212	1.12
5	A	973	909	5.35
6	A	654	611	3.41
7	A	310	289	20.00
8	A	255	238	7.44
9	B	3205	2994	0.56
10	B	2803	2619	6.45
11	B	1361	1272	12.29
12	B	1087	1016	27.40
13	B	778	727	5.26
14	B	768	718	14.84
15	B	264	246	45.04

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.792
S2	0.000	1.545	-0.183
S3	0.000	-1.545	-0.183
H4	0.880	-0.048	1.432
H5	-0.880	0.048	1.432
H6	1.106	1.277	-0.884
H7	-1.106	-1.277	-0.884

	C1	S2	S3	H4	H5	H6	H7
C1		1.8266	1.8266	1.0894	1.0894	2.3798	2.3798
S2	1.8266		3.0893	2.4329	2.3715	1.3364	3.1107
S3	1.8266	3.0893		2.3715	2.4329	3.1107	1.3364
H4	1.0894	2.4329	2.3715		1.7627	2.6783	3.2895
H5	1.0894	2.3715	2.4329	1.7627		3.2895	2.6783
H6	2.3798	1.3364	3.1107	2.6783	3.2895		3.3782
H7	2.3798	3.1107	1.3364	3.2895	2.6783	3.3782

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S2	H6	96.366	C1	S3	H7	96.366
S2	C1	S3	115.485	S2	C1	H4	110.534
S2	C1	H5	106.058	S3	C1	H4	106.058
S3	C1	H5	110.534	H4	C1	H5	108.008

All results from a given calculation for HSCH₂SH (Methanedithiol)

using model chemistry: CISD/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 HSCH2SH (Methanedithiol)

using model chemistry: CISD/3-21G*

States and conformations

All results from a given calculation for HSCH₂SH (Methanedithiol)