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	hartrees
Energy at 0K	-836.513539
Energy at 298.15K
HF Energy	-836.381583
Nuclear repulsion energy	148.083129

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	3203	3038	6.58	58.00	0.75	0.86
2	A	3187	3022	5.90	86.13	0.75	0.85
3	A	3096	2936	16.55	127.33	0.02	0.04
4	A	2678	2540	23.18	161.19	0.33	0.49
5	A	1529	1450	9.95	14.87	0.73	0.85
6	A	1509	1431	8.80	21.17	0.75	0.86
7	A	1410	1337	4.44	5.73	0.42	0.59
8	A	1015	963	9.51	6.27	0.61	0.76
9	A	1011	959	6.01	6.38	0.72	0.83
10	A	913	866	10.30	30.31	0.65	0.79
11	A	714	677	1.26	12.47	0.34	0.51
12	A	509	483	0.71	17.90	0.27	0.43
13	A	323	307	20.85	9.16	0.75	0.86
14	A	241	229	0.20	5.07	0.59	0.74
15	A	176	167	0.63	0.03	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	-1.652	0.690	-0.006
S2	-0.482	-0.709	0.016
S3	1.360	0.243	-0.088
H4	1.578	0.454	1.227
H5	-1.499	1.310	-0.889
H6	-2.651	0.248	-0.044
H7	-1.563	1.295	0.897

	C1	S2	S3	H4	H5	H6	H7
C1		1.8237	3.0463	3.4655	1.0899	1.0929	1.0905
S2	1.8237		2.0769	2.6582	2.4348	2.3709	2.4415
S3	3.0463	2.0769		1.3499	3.1549	4.0112	3.2589
H4	3.4655	2.6582	1.3499		3.8314	4.4205	3.2682
H5	1.0899	2.4348	3.1549	3.8314		1.7803	1.7873
H6	1.0929	2.3709	4.0112	4.4205	1.7803		1.7793
H7	1.0905	2.4415	3.2589	3.2682	1.7873	1.7793

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S2	S3	102.507	S2	C1	H5	110.839
S2	C1	H6	106.025	S2	C1	H7	111.313
S2	S3	H4	99.551	H5	C1	H6	109.286
H5	C1	H7	110.109	H6	C1	H7	109.160

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

using model chemistry: B2PLYP=FULL/6-31G*

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/6-31G*

States and conformations

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