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	hartrees
Energy at 0K	-835.790745
Energy at 298.15K
HF Energy	-835.266443
Nuclear repulsion energy	146.690521

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A	3143	3143
2	A	3127	3127
3	A	3029	3029
4	A	2649	2649
5	A	1455	1455
6	A	1440	1440
7	A	1330	1330
8	A	962	962
9	A	960	960
10	A	865	865
11	A	698	698
12	A	487	487
13	A	312	312
14	A	235	235
15	A	171	171

Atom	x (Å)	y (Å)	z (Å)
C1	-1.634	0.721	-0.005
S2	-0.503	-0.725	0.013
S3	1.370	0.243	-0.087
H4	1.551	0.422	1.248
H5	-1.452	1.335	-0.900
H6	-2.658	0.311	-0.040
H7	-1.510	1.323	0.909

	C1	S2	S3	H4	H5	H6	H7
C1		1.8358	3.0430	3.4358	1.1007	1.1040	1.1011
S2	1.8358		2.1115	2.6575	2.4455	2.3918	2.4517
S3	3.0430	2.1115		1.3592	3.1334	4.0294	3.2333
H4	3.4358	2.6575	1.3592		3.8036	4.4036	3.2092
H5	1.1007	2.4455	3.1334	3.8036		1.8014	1.8094
H6	1.1040	2.3918	4.0294	4.4036	1.8014		1.8006
H7	1.1011	2.4517	3.2333	3.2092	1.8094	1.8006

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S2	S3	100.640	S2	C1	H5	110.252
S2	C1	H6	106.210	S2	C1	H7	110.686
S2	S3	H4	97.572	H5	C1	H6	109.584
H5	C1	H7	110.526	H6	C1	H7	109.486

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

using model chemistry: QCISD(T)=FULL/daug-cc-pVDZ

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: QCISD(T)=FULL/daug-cc-pVDZ

States and conformations

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