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	hartrees
Energy at 0K	-515.187453
Energy at 298.15K
HF Energy	-514.595197
Nuclear repulsion energy	160.262996

Atom	x (Å)	y (Å)	z (Å)
C1	-1.779	-0.294	-0.179
C2	-0.510	0.150	0.503
C3	0.382	1.141	-0.147
S4	1.087	-0.525	-0.057
H5	-1.638	-0.378	-1.254
H6	-2.117	-1.260	0.193
H7	-2.569	0.434	0.009
H8	-0.592	0.227	1.579
H9	0.107	1.497	-1.132
H10	0.858	1.902	0.455

	C1	C2	C3	S4	H5	H6	H7	H8	H9	H10
C1		1.5074	2.5939	2.8780	1.0880	1.0885	1.0907	2.1836	2.7707	3.4902
C2	1.5074		1.4832	1.8219	2.1540	2.1600	2.1365	1.0816	2.2067	2.2240
C3	2.5939	1.4832		1.8108	2.7588	3.4815	3.0381	2.1824	1.0822	1.0817
S4	2.8780	1.8219	1.8108		2.9805	3.2966	3.7804	2.4619	2.4908	2.4910
H5	1.0880	2.1540	2.7588	2.9805		1.7611	1.7666	3.0798	2.5650	3.7885
H6	1.0885	2.1600	3.4815	3.2966	1.7611		1.7633	2.5408	3.7821	4.3497
H7	1.0907	2.1365	3.0381	3.7804	1.7666	1.7633		2.5326	3.0974	3.7551
H8	2.1836	1.0816	2.1824	2.4619	3.0798	2.5408	2.5326		3.0740	2.4849
H9	2.7707	2.2067	1.0822	2.4908	2.5650	3.7821	3.0974	3.0740		1.8012
H10	3.4902	2.2240	1.0817	2.4910	3.7885	4.3497	3.7551	2.4849	1.8012

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	120.302	C1	C2	S4	119.339
C1	C2	H8	113.991	C2	C1	H5	111.149
C2	C1	H6	111.602	C2	C1	H7	109.589
C2	C3	S4	66.294	C2	C3	H9	117.824
C2	C3	H10	119.419	C2	S4	C3	48.192
C3	C2	S4	65.514	C3	C2	H8	115.743
S4	C2	H8	113.508	S4	C3	H9	116.583
S4	C3	H10	116.624	H5	C1	H6	108.016
H5	C1	H7	108.356	H6	C1	H7	108.018
H9	C3	H10	112.686

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

using model chemistry: MP3/6-31+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: MP3/6-31+G**

States and conformations

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