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	hartrees
Energy at 0K	-515.476369
Energy at 298.15K
HF Energy	-514.662583
Nuclear repulsion energy	160.925294

Atom	x (Å)	y (Å)	z (Å)
C1	-1.766	-0.295	-0.179
C2	-0.510	0.155	0.503
C3	0.378	1.139	-0.148
S4	1.080	-0.525	-0.056
H5	-1.619	-0.381	-1.252
H6	-2.098	-1.261	0.194
H7	-2.560	0.428	0.003
H8	-0.592	0.229	1.575
H9	0.106	1.491	-1.132
H10	0.861	1.897	0.449

	C1	C2	C3	S4	H5	H6	H7	H8	H9	H10
C1		1.4979	2.5797	2.8577	1.0865	1.0870	1.0892	2.1743	2.7576	3.4785
C2	1.4979		1.4767	1.8172	2.1438	2.1497	2.1276	1.0779	2.1991	2.2175
C3	2.5797	1.4767		1.8077	2.7421	3.4652	3.0268	2.1765	1.0795	1.0788
S4	2.8577	1.8172	1.8077		2.9558	3.2718	3.7630	2.4544	2.4836	2.4832
H5	1.0865	2.1438	2.7421	2.9558		1.7589	1.7643	3.0689	2.5491	3.7727
H6	1.0870	2.1497	3.4652	3.2718	1.7589		1.7611	2.5289	3.7669	4.3350
H7	1.0892	2.1276	3.0268	3.7630	1.7643	1.7611		2.5266	3.0864	3.7497
H8	2.1743	1.0779	2.1765	2.4544	3.0689	2.5289	2.5266		3.0666	2.4820
H9	2.7576	2.1991	1.0795	2.4836	2.5491	3.7669	3.0864	3.0666		1.7976
H10	3.4785	2.2175	1.0788	2.4832	3.7727	4.3350	3.7497	2.4820	1.7976

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	120.278	C1	C2	S4	118.774
C1	C2	H8	114.164	C2	C1	H5	111.095
C2	C1	H6	111.549	C2	C1	H7	109.634
C2	C3	S4	66.297	C2	C3	H9	117.862
C2	C3	H10	119.584	C2	S4	C3	48.078
C3	C2	S4	65.625	C3	C2	H8	115.979
S4	C2	H8	113.468	S4	C3	H9	116.394
S4	C3	H10	116.406	H5	C1	H6	108.040
H5	C1	H7	108.370	H6	C1	H7	108.046
H9	C3	H10	112.786

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

using model chemistry: CCSD=FULL/cc-pVTZ

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: CCSD=FULL/cc-pVTZ

States and conformations

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