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	hartrees
Energy at 0K	-515.183529
Energy at 298.15K	-515.190280
HF Energy	-514.596942
Nuclear repulsion energy	160.542717

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3310	3109	2.54
2	A	3237	3040	15.87
3	A	3222	3026	8.11
4	A	3210	3014	8.31
5	A	3207	3012	12.03
6	A	3114	2924	25.15
7	A	1544	1450	2.89
8	A	1543	1449	10.26
9	A	1525	1433	4.18
10	A	1463	1374	5.81
11	A	1419	1333	6.73
12	A	1238	1162	4.15
13	A	1219	1145	2.81
14	A	1147	1078	21.07
15	A	1121	1053	9.44
16	A	1057	993	3.69
17	A	970	911	1.94
18	A	961	902	2.58
19	A	920	864	2.27
20	A	677	636	8.81
21	A	657	617	12.35
22	A	396	371	0.19
23	A	311	292	1.02
24	A	251	235	0.09

Atom	x (Å)	y (Å)	z (Å)
C1	-1.769	-0.301	-0.178
C2	-0.509	0.152	0.508
C3	0.367	1.145	-0.151
S4	1.085	-0.521	-0.057
H5	-1.609	-0.362	-1.253
H6	-2.081	-1.281	0.176
H7	-2.575	0.409	0.017
H8	-0.573	0.228	1.588
H9	0.084	1.473	-1.143
H10	0.850	1.898	0.458

	C1	C2	C3	S4	H5	H6	H7	H8	H9	H10
C1		1.5045	2.5798	2.8653	1.0884	1.0884	1.0909	2.1968	2.7404	3.4775
C2	1.5045		1.4801	1.8204	2.1393	2.1529	2.1390	1.0839	2.1965	2.2128
C3	2.5798	1.4801		1.8174	2.7188	3.4627	3.0375	2.1797	1.0822	1.0813
S4	2.8653	1.8204	1.8174		2.9521	3.2645	3.7770	2.4530	2.4817	2.4844
H5	1.0884	2.1393	2.7188	2.9521		1.7635	1.7716	3.0805	2.4990	3.7520
H6	1.0884	2.1529	3.4627	3.2645	1.7635		1.7677	2.5578	3.7433	4.3328
H7	1.0909	2.1390	3.0375	3.7770	1.7716	1.7677		2.5506	3.0898	3.7600
H8	2.1968	1.0839	2.1797	2.4530	3.0805	2.5578	2.5506		3.0725	2.4679
H9	2.7404	2.1965	1.0822	2.4817	2.4990	3.7433	3.0898	3.0725		1.8248
H10	3.4775	2.2128	1.0813	2.4844	3.7520	4.3328	3.7600	2.4679	1.8248

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	119.622	C1	C2	S4	118.726
C1	C2	H8	115.185	C2	C1	H5	110.151
C2	C1	H6	111.253	C2	C1	H7	109.980
C2	C3	S4	66.098	C2	C3	H9	117.170
C2	C3	H10	118.691	C2	S4	C3	48.015
C3	C2	S4	65.887	C3	C2	H8	115.591
S4	C2	H8	112.788	S4	C3	H9	115.354
S4	C3	H10	115.624	H5	C1	H6	108.216
H5	C1	H7	108.757	H6	C1	H7	108.417
H9	C3	H10	115.007

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

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

States and conformations

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