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	hartrees
Energy at 0K	-515.062232
Energy at 298.15K	-515.069035
HF Energy	-514.585519
Nuclear repulsion energy	160.645903

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3339	3085	4.06
2	A	3273	3024	13.51
3	A	3251	3003	13.24
4	A	3243	2996	9.14
5	A	3225	2979	15.41
6	A	3149	2909	23.58
7	A	1587	1466	2.54
8	A	1585	1464	8.74
9	A	1571	1451	4.66
10	A	1514	1399	3.91
11	A	1469	1357	5.63
12	A	1267	1170	5.32
13	A	1256	1160	3.24
14	A	1184	1094	21.35
15	A	1146	1058	8.42
16	A	1089	1006	3.62
17	A	999	922	2.40
18	A	984	909	2.90
19	A	942	870	1.86
20	A	704	650	8.09
21	A	674	623	21.93
22	A	405	374	0.18
23	A	320	296	1.41
24	A	244	225	0.08

Atom	x (Å)	y (Å)	z (Å)
C1	-1.773	-0.295	-0.177
C2	-0.507	0.155	0.503
C3	0.377	1.142	-0.151
S4	1.082	-0.524	-0.056
H5	-1.625	-0.367	-1.254
H6	-2.088	-1.271	0.188
H7	-2.576	0.419	0.019
H8	-0.574	0.231	1.582
H9	0.108	1.476	-1.144
H10	0.861	1.891	0.460

	C1	C2	C3	S4	H5	H6	H7	H8	H9	H10
C1		1.5067	2.5863	2.8672	1.0890	1.0890	1.0918	2.1933	2.7593	3.4824
C2	1.5067		1.4770	1.8165	2.1471	2.1530	2.1414	1.0832	2.1993	2.2104
C3	2.5863	1.4770		1.8115	2.7387	3.4663	3.0447	2.1756	1.0821	1.0813
S4	2.8672	1.8165	1.8115		2.9644	3.2664	3.7784	2.4486	2.4766	2.4797
H5	1.0890	2.1471	2.7387	2.9644		1.7642	1.7719	3.0827	2.5326	3.7706
H6	1.0890	2.1530	3.4663	3.2664	1.7642		1.7674	2.5483	3.7617	4.3329
H7	1.0918	2.1414	3.0447	3.7784	1.7719	1.7674		2.5472	3.1105	3.7652
H8	2.1933	1.0832	2.1756	2.4486	3.0827	2.5483	2.5472		3.0732	2.4638
H9	2.7593	2.1993	1.0821	2.4766	2.5326	3.7617	3.1105	3.0732		1.8201
H10	3.4824	2.2104	1.0813	2.4797	3.7706	4.3329	3.7652	2.4638	1.8201

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	120.179	C1	C2	S4	118.970
C1	C2	H8	114.761	C2	C1	H5	110.591
C2	C1	H6	111.064	C2	C1	H7	109.965
C2	C3	S4	66.151	C2	C3	H9	117.673
C2	C3	H10	118.725	C2	S4	C3	48.047
C3	C2	S4	65.802	C3	C2	H8	115.514
S4	C2	H8	112.762	S4	C3	H9	115.385
S4	C3	H10	115.685	H5	C1	H6	108.195
H5	C1	H7	108.679	H6	C1	H7	108.272
H9	C3	H10	114.563

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

using model chemistry: CID/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: CID/6-31G*

States and conformations

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