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	hartrees
Energy at 0K	-593.470402
Energy at 298.15K	-593.480483
HF Energy	-592.643046
Nuclear repulsion energy	285.796200

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3301	3098	17.39
2	A	3221	3023	3.69
3	A	3201	3005	16.57
4	A	3196	3000	24.16
5	A	3188	2992	21.56
6	A	3158	2964	7.00
7	A	3130	2938	15.85
8	A	3111	2920	20.94
9	A	3109	2918	21.82
10	A	3090	2900	23.61
11	A	1770	1661	13.97
12	A	1565	1469	1.79
13	A	1556	1461	3.10
14	A	1553	1458	7.93
15	A	1541	1446	11.72
16	A	1502	1410	5.02
17	A	1477	1386	3.99
18	A	1393	1308	4.88
19	A	1368	1284	15.24
20	A	1355	1272	20.87
21	A	1317	1236	0.00
22	A	1228	1152	1.37
23	A	1128	1059	3.77
24	A	1110	1042	1.41
25	A	1103	1035	0.07
26	A	1039	975	2.97
27	A	1032	968	16.25
28	A	972	912	1.92
29	A	969	910	1.46
30	A	936	879	38.77
31	A	822	772	3.91
32	A	792	743	1.60
33	A	737	691	0.35
34	A	557	523	10.39
35	A	519	487	0.30
36	A	348	327	0.72
37	A	256	241	0.17
38	A	255	239	0.11
39	A	133	125	0.26
40	A	119	112	0.50
41	A	63	59	0.22
42	A	7	6	1.87

Atom	x (Å)	y (Å)	z (Å)
H1	3.868	-1.008	0.035
H2	2.138	-1.652	0.067
C3	2.804	-0.795	0.034
H4	3.079	1.279	-0.032
C5	2.358	0.462	-0.003
H6	0.738	1.529	0.883
H7	0.753	1.558	-0.880
C8	0.922	0.915	-0.008
S9	-0.283	-0.448	-0.039
H10	-1.786	1.160	0.948
H11	-1.816	1.242	-0.821
C12	-1.797	0.558	0.033
H13	-3.937	0.258	0.057
H14	-3.057	-0.943	-0.905
H15	-3.026	-1.029	0.865
C16	-3.026	-0.346	0.011

	H1	H2	C3	H4	C5	H6	H7	C8	S9	H10	H11	C12	H13	H14	H15	C16
H1		1.8458	1.0853	2.4204	2.1072	4.1167	4.1379	3.5177	4.1887	6.1230	6.1723	5.8768	7.9071	6.9888	6.9434	6.9257
H2	1.8458		1.0855	3.0798	2.1263	3.5697	3.6218	2.8411	2.7057	4.9066	4.9794	4.5128	6.3685	5.3327	5.2623	5.3271
C3	1.0853	1.0855		2.0932	1.3338	3.2226	3.2521	2.5424	3.1066	5.0710	5.1203	4.7949	6.8227	5.9374	5.8930	5.8471
H4	2.4204	3.0798	2.0932		1.0897	2.5250	2.4908	2.1869	3.7792	4.9636	4.9577	4.9289	7.0906	6.5841	6.5878	6.3178
C5	2.1072	2.1263	1.3338	1.0897		2.1326	2.1323	1.5057	2.7937	4.3087	4.3244	4.1563	6.2994	5.6672	5.6541	5.4451
H6	4.1167	3.5697	3.2226	2.5250	2.1326		1.7628	1.0971	2.4084	2.5519	3.0834	2.8446	4.9154	4.8696	4.5513	4.2953
H7	4.1379	3.6218	3.2521	2.4908	2.1323	1.7628		1.0968	2.4094	3.1538	2.5890	2.8874	4.9570	4.5584	4.9013	4.3251
C8	3.5177	2.8411	2.5424	2.1869	1.5057	1.0971	1.0968		1.8196	2.8822	2.8750	2.7428	4.9046	4.4828	4.4868	4.1454
S9	4.1887	2.7057	3.1066	3.7792	2.7937	2.4084	2.4094	1.8196		2.4116	2.4120	1.8189	3.7234	2.9483	2.9463	2.7459
H10	6.1230	4.9066	5.0710	4.9636	4.3087	2.5519	3.1538	2.8822	2.4116		1.7710	1.0947	2.4973	3.0771	2.5167	2.1641
H11	6.1723	4.9794	5.1203	4.9577	4.3244	3.0834	2.5890	2.8750	2.4120	1.7710		1.0948	2.4983	2.5149	3.0769	2.1636
C12	5.8768	4.5128	4.7949	4.9289	4.1563	2.8446	2.8874	2.7428	1.8189	1.0947	1.0948		2.1618	2.1729	2.1729	1.5263
H13	7.9071	6.3685	6.8227	7.0906	6.2994	4.9154	4.9570	4.9046	3.7234	2.4973	2.4983	2.1618		1.7724	1.7722	1.0941
H14	6.9888	5.3327	5.9374	6.5841	5.6672	4.8696	4.5584	4.4828	2.9483	3.0771	2.5149	2.1729	1.7724		1.7722	1.0935
H15	6.9434	5.2623	5.8930	6.5878	5.6541	4.5513	4.9013	4.4868	2.9463	2.5167	3.0769	2.1729	1.7722	1.7722		1.0936
C16	6.9257	5.3271	5.8471	6.3178	5.4451	4.2953	4.3251	4.1454	2.7459	2.1641	2.1636	1.5263	1.0941	1.0935	1.0936

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C3	H2	116.488	H1	C3	C5	120.820
H2	C3	C5	122.691	C3	C5	H4	119.132
C3	C5	C8	127.005	H4	C5	C8	113.863
C5	C8	H6	109.026	C5	C8	H7	109.022
C5	C8	S9	113.973	H6	C8	H7	106.929
H6	C8	S9	108.787	H7	C8	S9	108.871
C8	S9	C12	97.846	S9	C12	H10	109.188
S9	C12	H11	109.215	S9	C12	C16	110.031
H10	C12	H11	107.964	H10	C12	C16	110.219
H11	C12	C16	110.184	C12	C16	H13	110.076
C12	C16	H14	110.994	C12	C16	H15	110.990
H13	C16	H14	108.224	H13	C16	H15	108.206
H14	C16	H15	108.254

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

using model chemistry: MP3/6-31G*

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 C5H10S (3-Ethylthio-1-propene)

using model chemistry: MP3/6-31G*

States and conformations

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