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	hartrees
Energy at 0K	-593.512319
Energy at 298.15K	-593.522364
HF Energy	-592.675552
Nuclear repulsion energy	285.072614

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3303	3146	11.21
2	A	3203	3051	4.53
3	A	3187	3036	12.15
4	A	3187	3035	16.46
5	A	3088	2941	22.46
6	A	3079	2933	24.64
7	A	3059	2913	26.76
8	A	1709	1627	15.90
9	A	1502	1431	1.93
10	A	1485	1414	2.34
11	A	1461	1391	8.15
12	A	1451	1382	5.02
13	A	1407	1340	2.00
14	A	1323	1260	1.98
15	A	1314	1251	5.43
16	A	1281	1221	43.39
17	A	1097	1045	1.56
18	A	1072	1021	4.09
19	A	1016	968	3.11
20	A	957	912	2.23
21	A	772	735	2.51
22	A	720	686	0.63
23	A	506	482	0.25
24	A	340	323	0.58
25	A	247	235	0.16
26	A	126	120	0.19
27	A	3194	3042	18.70
28	A	3140	2991	9.93
29	A	3110	2962	16.35
30	A	1491	1420	7.46
31	A	1268	1208	0.03
32	A	1178	1122	1.98
33	A	1052	1002	0.03
34	A	1016	967	14.61
35	A	923	880	0.47
36	A	920	877	31.47
37	A	794	756	2.99
38	A	543	517	10.16
39	A	260	248	0.09
40	A	131	125	0.50
41	A	64	61	0.23
42	A	21	20	1.32

Atom	x (Å)	y (Å)	z (Å)
H1	-3.829	-1.165	0.000
H2	-2.664	0.300	0.000
C3	-2.803	-0.786	0.000
H4	-1.957	-2.719	0.000
C5	-1.760	-1.638	0.000
H6	0.190	-1.712	0.889
H7	0.190	-1.712	-0.889
C8	-0.299	-1.269	0.000
S9	0.000	0.531	0.000
H10	2.164	-0.087	0.894
H11	2.164	-0.087	-0.894
C12	1.824	0.467	0.000
H13	3.494	1.856	0.000
H14	2.061	2.441	-0.893
H15	2.061	2.441	0.893
C16	2.392	1.886	0.000

	H1	H2	C3	H4	C5	H6	H7	C8	S9	H10	H11	C12	H13	H14	H15	C16
H1		1.8714	1.0940	2.4338	2.1228	4.1523	4.1523	3.5319	4.1876	6.1547	6.1547	5.8838	7.9215	6.9634	6.9634	6.9285
H2	1.8714		1.0943	3.1007	2.1383	3.6028	3.6028	2.8380	2.6738	4.9251	4.9251	4.4909	6.3513	5.2636	5.2636	5.2985
C3	1.0940	1.0943		2.1106	1.3470	3.2564	3.2564	2.5503	3.0965	5.0949	5.0949	4.7933	6.8283	5.9046	5.9046	5.8413
H4	2.4338	3.1007	2.1106		1.0989	2.5321	2.5321	2.2026	3.7933	4.9708	4.9708	4.9439	7.1161	6.6002	6.6002	6.3336
C5	2.1228	2.1383	1.3470	1.0989		2.1440	2.1440	1.5069	2.7928	4.3131	4.3131	4.1562	6.3095	5.6597	5.6597	5.4455
H6	4.1523	3.6028	3.2564	2.5321	2.1440		1.7778	1.1068	2.4197	2.5573	3.1172	2.8648	4.9434	4.8909	4.5548	4.3107
H7	4.1523	3.6028	3.2564	2.5321	2.1440	1.7778		1.1068	2.4197	3.1172	2.5573	2.8648	4.9434	4.5548	4.8909	4.3107
C8	3.5319	2.8380	2.5503	2.2026	1.5069	1.1068	1.1068		1.8242	2.8744	2.8744	2.7420	4.9142	4.4864	4.4864	4.1463
S9	4.1876	2.6738	3.0965	3.7933	2.7928	2.4197	2.4197	1.8242		2.4214	2.4214	1.8251	3.7368	2.9485	2.9485	2.7490
H10	6.1547	4.9251	5.0949	4.9708	4.3131	2.5573	3.1172	2.8744	2.4214		1.7871	1.1047	2.5180	3.0967	2.5295	2.1773
H11	6.1547	4.9251	5.0949	4.9708	4.3131	3.1172	2.5573	2.8744	2.4214	1.7871		1.1047	2.5180	2.5295	3.0967	2.1773
C12	5.8838	4.4909	4.7933	4.9439	4.1562	2.8648	2.8648	2.7420	1.8251	1.1047	1.1047		2.1722	2.1795	2.1795	1.5284
H13	7.9215	6.3513	6.8283	7.1161	6.3095	4.9434	4.9434	4.9142	3.7368	2.5180	2.5180	2.1722		1.7866	1.7866	1.1024
H14	6.9634	5.2636	5.9046	6.6002	5.6597	4.8909	4.5548	4.4864	2.9485	3.0967	2.5295	2.1795	1.7866		1.7858	1.1021
H15	6.9634	5.2636	5.9046	6.6002	5.6597	4.5548	4.8909	4.4864	2.9485	2.5295	3.0967	2.1795	1.7866	1.7858		1.1021
C16	6.9285	5.2985	5.8413	6.3336	5.4455	4.3107	4.3107	4.1463	2.7490	2.1773	2.1773	1.5284	1.1024	1.1021	1.1021

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C3	H2	117.565	H1	C3	C5	120.477
H2	C3	C5	121.958	C3	C5	H4	118.943
C3	C5	C8	126.568	H4	C5	C8	114.489
C5	C8	H6	109.267	C5	C8	H7	109.267
C5	C8	S9	113.602	H6	C8	H7	106.856
H6	C8	S9	108.814	H7	C8	S9	108.814
C8	S9	C12	97.422	S9	C12	H10	108.983
S9	C12	H11	108.983	S9	C12	C16	109.805
H10	C12	H11	107.966	H10	C12	C16	110.528
H11	C12	C16	110.528	C12	C16	H13	110.264
C12	C16	H14	110.856	C12	C16	H15	110.856
H13	C16	H14	108.277	H13	C16	H15	108.277
H14	C16	H15	108.221

All results from a given calculation for C₅H₁₀S (3-Ethylthio-1-propene)

using model chemistry: MP2/cc-pVDZ

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 C5H10S (3-Ethylthio-1-propene)

using model chemistry: MP2/cc-pVDZ

States and conformations

All results from a given calculation for C₅H₁₀S (3-Ethylthio-1-propene)