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	hartrees
Energy at 0K	-515.156189
Energy at 298.15K
HF Energy	-514.596882
Nuclear repulsion energy	160.332175

Atom	x (Å)	y (Å)	z (Å)
C1	-1.772	-0.301	-0.178
C2	-0.510	0.151	0.508
C3	0.367	1.147	-0.151
S4	1.087	-0.522	-0.057
H5	-1.612	-0.364	-1.254
H6	-2.085	-1.282	0.178
H7	-2.577	0.410	0.017
H8	-0.574	0.227	1.589
H9	0.085	1.474	-1.145
H10	0.849	1.900	0.459

	C1	C2	C3	S4	H5	H6	H7	H8	H9	H10
C1		1.5063	2.5833	2.8702	1.0896	1.0895	1.0921	2.1987	2.7449	3.4814
C2	1.5063		1.4815	1.8231	2.1416	2.1552	2.1408	1.0849	2.1989	2.2149
C3	2.5833	1.4815		1.8200	2.7233	3.4671	3.0400	2.1817	1.0833	1.0823
S4	2.8702	1.8231	1.8200		2.9572	3.2704	3.7820	2.4555	2.4844	2.4872
H5	1.0896	2.1416	2.7233	2.9572		1.7658	1.7737	3.0834	2.5041	3.7572
H6	1.0895	2.1552	3.4671	3.2704	1.7658		1.7698	2.5590	3.7490	4.3372
H7	1.0921	2.1408	3.0400	3.7820	1.7737	1.7698		2.5526	3.0934	3.7625
H8	2.1987	1.0849	2.1817	2.4555	3.0834	2.5590	2.5526		3.0758	2.4699
H9	2.7449	2.1989	1.0833	2.4844	2.5041	3.7490	3.0934	3.0758		1.8267
H10	3.4814	2.2149	1.0823	2.4872	3.7572	4.3372	3.7625	2.4699	1.8267

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	119.675	C1	C2	S4	118.800
C1	C2	H8	115.139	C2	C1	H5	110.145
C2	C1	H6	111.242	C2	C1	H7	109.929
C2	C3	S4	66.112	C2	C3	H9	117.194
C2	C3	H10	118.682	C2	S4	C3	47.992
C3	C2	S4	65.896	C3	C2	H8	115.579
S4	C2	H8	112.738	S4	C3	H9	115.318
S4	C3	H10	115.598	H5	C1	H6	108.256
H5	C1	H7	108.772	H6	C1	H7	108.433
H9	C3	H10	115.027

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

using model chemistry: MP2/6-31+G**

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: MP2/6-31+G**

States and conformations

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