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	hartrees
Energy at 0K	-515.064578
Energy at 298.15K
HF Energy	-514.585514
Nuclear repulsion energy	160.571859

Atom	x (Å)	y (Å)	z (Å)
C1	-1.774	-0.296	-0.177
C2	-0.507	0.156	0.503
C3	0.376	1.142	-0.151
S4	1.083	-0.524	-0.056
H5	-1.626	-0.367	-1.254
H6	-2.088	-1.273	0.188
H7	-2.577	0.418	0.019
H8	-0.574	0.231	1.582
H9	0.108	1.477	-1.145
H10	0.861	1.892	0.460

	C1	C2	C3	S4	H5	H6	H7	H8	H9	H10
C1		1.5069	2.5869	2.8683	1.0892	1.0892	1.0921	2.1938	2.7602	3.4834
C2	1.5069		1.4773	1.8180	2.1476	2.1534	2.1417	1.0834	2.1999	2.2110
C3	2.5869	1.4773		1.8130	2.7393	3.4669	3.0458	2.1761	1.0823	1.0815
S4	2.8683	1.8180	1.8130		2.9657	3.2669	3.7800	2.4497	2.4776	2.4807
H5	1.0892	2.1476	2.7393	2.9657		1.7646	1.7722	3.0834	2.5332	3.7715
H6	1.0892	2.1534	3.4669	3.2669	1.7646		1.7677	2.5488	3.7626	4.3340
H7	1.0921	2.1417	3.0458	3.7800	1.7722	1.7677		2.5477	3.1122	3.7669
H8	2.1938	1.0834	2.1761	2.4497	3.0834	2.5488	2.5477		3.0741	2.4647
H9	2.7602	2.1999	1.0823	2.4776	2.5332	3.7626	3.1122	3.0741		1.8206
H10	3.4834	2.2110	1.0815	2.4807	3.7715	4.3340	3.7669	2.4647	1.8206

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	120.189	C1	C2	S4	118.941
C1	C2	H8	114.775	C2	C1	H5	110.600
C2	C1	H6	111.064	C2	C1	H7	109.959
C2	C3	S4	66.170	C2	C3	H9	117.683
C2	C3	H10	118.737	C2	S4	C3	48.016
C3	C2	S4	65.814	C3	C2	H8	115.526
S4	C2	H8	112.732	S4	C3	H9	115.354
S4	C3	H10	115.652	H5	C1	H6	108.197
H5	C1	H7	108.679	H6	C1	H7	108.266
H9	C3	H10	114.577

All results from a given calculation for C₃H₆S (Thiirane, methyl-)

using model chemistry: CISD/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 C3H6S (Thiirane, methyl-)

using model chemistry: CISD/6-31G*

States and conformations

All results from a given calculation for C₃H₆S (Thiirane, methyl-)