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	hartrees
Energy at 0K	-589.541982
Energy at 298.15K	-589.551934
HF Energy	-589.541982
Nuclear repulsion energy	284.635175

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3176	3119	9.49
2	A	3082	3027	1.00
3	A	3076	3020	5.84
4	A	3074	3018	8.54
5	A	3002	2948	12.94
6	A	2992	2938	9.97
7	A	2972	2918	12.69
8	A	1702	1672	15.41
9	A	1505	1478	8.49
10	A	1472	1445	6.30
11	A	1451	1425	24.83
12	A	1434	1408	6.24
13	A	1402	1376	23.32
14	A	1314	1291	1.22
15	A	1284	1261	7.11
16	A	1237	1214	20.45
17	A	1085	1066	5.21
18	A	1069	1049	1.92
19	A	1006	988	13.40
20	A	948	931	4.54
21	A	731	718	8.73
22	A	658	646	1.72
23	A	505	496	0.21
24	A	333	327	1.79
25	A	253	248	0.52
26	A	118	116	0.34
27	A	3084	3028	14.39
28	A	3054	2999	1.31
29	A	3017	2962	7.30
30	A	1492	1465	15.52
31	A	1257	1234	0.32
32	A	1164	1143	0.10
33	A	1027	1008	0.03
34	A	990	972	14.74
35	A	928	911	63.17
36	A	881	865	3.59
37	A	791	776	10.18
38	A	543	533	20.80
39	A	251	247	0.05
40	A	157	154	1.26
41	A	56	55	0.05
42	A	21	20	1.95

Atom	x (Å)	y (Å)	z (Å)
H1	-3.794	-1.040	0.000
H2	-2.614	0.328	0.000
C3	-2.800	-0.705	0.000
H4	-2.037	-2.608	0.000
C5	-1.796	-1.585	0.000
H6	0.111	-1.671	0.898
H7	0.111	-1.671	-0.898
C8	-0.360	-1.239	0.000
S9	0.000	0.560	0.000
H10	2.133	-0.168	0.898
H11	2.133	-0.168	-0.898
C12	1.823	0.383	0.000
H13	3.567	1.664	0.000
H14	2.167	2.319	-0.899
H15	2.167	2.319	0.899
C16	2.475	1.767	0.000

	H1	H2	C3	H4	C5	H6	H7	C8	S9	H10	H11	C12	H13	H14	H15	C16
H1		1.8065	1.0489	2.3542	2.0708	4.0555	4.0555	3.4388	4.1174	6.0577	6.0577	5.7945	7.8411	6.9007	6.9007	6.8684
H2	1.8065		1.0494	2.9924	2.0811	3.4971	3.4971	2.7451	2.6246	4.8574	4.8574	4.4382	6.3235	5.2566	5.2566	5.2888
C3	1.0489	1.0494		2.0504	1.3354	3.1955	3.1955	2.4971	3.0723	5.0428	5.0428	4.7495	6.7926	5.8838	5.8838	5.8251
H4	2.3542	2.9924	2.0504		1.0511	2.5095	2.5095	2.1648	3.7668	4.9144	4.9144	4.8838	7.0463	6.5390	6.5390	6.2847
C5	2.0708	2.0811	1.3354	1.0511		2.1090	2.1090	1.4764	2.7976	4.2720	4.2720	4.1196	6.2695	5.6349	5.6349	5.4288
H6	4.0555	3.4971	3.1955	2.5095	2.1090		1.7965	1.1026	2.4080	2.5198	3.0944	2.8214	4.8858	4.8354	4.4888	4.2679
H7	4.0555	3.4971	3.1955	2.5095	2.1090	1.7965		1.1026	2.4080	3.0944	2.5198	2.8214	4.8858	4.4888	4.8354	4.2679
C8	3.4388	2.7451	2.4971	2.1648	1.4764	1.1026	1.1026		1.8348	2.8585	2.8585	2.7202	4.8832	4.4558	4.4558	4.1319
S9	4.1174	2.6246	3.0723	3.7668	2.7976	2.4080	2.4080	1.8348		2.4267	2.4267	1.8321	3.7333	2.9321	2.9321	2.7534
H10	6.0577	4.8574	5.0428	4.9144	4.2720	2.5198	3.0944	2.8585	2.4267		1.7956	1.0984	2.4934	3.0692	2.4879	2.1605
H11	6.0577	4.8574	5.0428	4.9144	4.2720	3.0944	2.5198	2.8585	2.4267	1.7956		1.0984	2.4934	2.4879	3.0692	2.1605
C12	5.7945	4.4382	4.7495	4.8838	4.1196	2.8214	2.8214	2.7202	1.8321	1.0984	1.0984		2.1630	2.1622	2.1622	1.5293
H13	7.8411	6.3235	6.7926	7.0463	6.2695	4.8858	4.8858	4.8832	3.7333	2.4934	2.4934	2.1630		1.7883	1.7883	1.0963
H14	6.9007	5.2566	5.8838	6.5390	5.6349	4.8354	4.4888	4.4558	2.9321	3.0692	2.4879	2.1622	1.7883		1.7990	1.0997
H15	6.9007	5.2566	5.8838	6.5390	5.6349	4.4888	4.8354	4.4558	2.9321	2.4879	3.0692	2.1622	1.7883	1.7990		1.0997
C16	6.8684	5.2888	5.8251	6.2847	5.4288	4.2679	4.2679	4.1319	2.7534	2.1605	2.1605	1.5293	1.0963	1.0997	1.0997

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C3	H2	118.842	H1	C3	C5	120.094
H2	C3	C5	121.064	C3	C5	H4	117.954
C3	C5	C8	125.194	H4	C5	C8	116.852
C5	C8	H6	108.866	C5	C8	H7	108.866
C5	C8	S9	114.894	H6	C8	H7	109.112
H6	C8	S9	107.490	H7	C8	S9	107.490
C8	S9	C12	95.775	S9	C12	H10	109.239
S9	C12	H11	109.239	S9	C12	C16	109.665
H10	C12	H11	109.650	H10	C12	C16	109.517
H11	C12	C16	109.517	C12	C16	H13	109.832
C12	C16	H14	109.576	C12	C16	H15	109.576
H13	C16	H14	109.044	H13	C16	H15	109.044
H14	C16	H15	109.753

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

using model chemistry: SVWN/3-21G

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: SVWN/3-21G

States and conformations

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