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	hartrees
Energy at 0K	-836.611772
Energy at 298.15K
HF Energy	-836.447892
Nuclear repulsion energy	147.649955

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	3179	3033	7.87	59.48	0.75	0.86
2	A	3163	3019	6.67	92.00	0.74	0.85
3	A	3073	2932	19.91	169.17	0.02	0.04
4	A	2661	2539	9.62	165.92	0.29	0.45
5	A	1493	1425	10.53	10.09	0.75	0.86
6	A	1468	1401	8.78	15.75	0.75	0.86
7	A	1378	1315	3.85	2.49	0.37	0.54
8	A	991	946	5.96	5.80	0.60	0.75
9	A	987	942	4.75	5.62	0.65	0.79
10	A	885	845	5.48	21.32	0.63	0.77
11	A	700	668	1.44	14.55	0.36	0.53
12	A	501	478	0.81	16.97	0.26	0.42
13	A	313	299	17.97	10.20	0.75	0.86
14	A	239	228	0.18	4.29	0.61	0.75
15	A	178	170	0.69	0.10	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	-1.650	0.699	-0.005
S2	-0.489	-0.713	0.014
S3	1.366	0.244	-0.087
H4	1.566	0.436	1.233
H5	-1.497	1.309	-0.891
H6	-2.649	0.265	-0.032
H7	-1.544	1.303	0.892

	C1	S2	S3	H4	H5	H6	H7
C1		1.8283	3.0509	3.4562	1.0861	1.0893	1.0866
S2	1.8283		2.0894	2.6514	2.4339	2.3713	2.4390
S3	3.0509	2.0894		1.3496	3.1579	4.0148	3.2476
H4	3.4562	2.6514	1.3496		3.8278	4.4039	3.2465
H5	1.0861	2.4339	3.1579	3.8278		1.7760	1.7830
H6	1.0893	2.3713	4.0148	4.4039	1.7760		1.7755
H7	1.0866	2.4390	3.2476	3.2465	1.7830	1.7755

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S2	S3	102.085	S2	C1	H5	110.664
S2	C1	H6	105.936	S2	C1	H7	111.020
S2	S3	H4	98.593	H5	C1	H6	109.448
H5	C1	H7	110.297	H6	C1	H7	109.370

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

using model chemistry: B2PLYP=FULL/TZVP

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=FULL/TZVP

States and conformations

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