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	hartrees
Energy at 0K	-556.530223
Energy at 298.15K
HF Energy	-556.530223
Nuclear repulsion energy	244.826072

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3150	3000	21.47
2	A'	3134	2984	23.79
3	A'	3124	2975	40.25
4	A'	3056	2910	23.68
5	A'	3049	2903	35.99
6	A'	2747	2616	11.29
7	A'	1520	1448	10.35
8	A'	1507	1435	11.98
9	A'	1491	1420	0.38
10	A'	1435	1367	1.55
11	A'	1406	1338	13.54
12	A'	1271	1211	0.05
13	A'	1206	1149	40.78
14	A'	1060	1009	2.08
15	A'	952	906	0.48
16	A'	873	831	5.26
17	A'	848	807	2.13
18	A'	608	579	5.89
19	A'	396	377	1.51
20	A'	374	356	0.08
21	A'	297	282	0.77
22	A'	279	265	0.47
23	A"	3149	2999	24.54
24	A"	3147	2996	2.01
25	A"	3120	2971	0.51
26	A"	3045	2900	19.50
27	A"	1508	1436	10.37
28	A"	1485	1414	0.22
29	A"	1480	1409	0.00
30	A"	1406	1339	14.94
31	A"	1259	1199	1.63
32	A"	1051	1001	0.28
33	A"	966	920	0.00
34	A"	946	901	0.13
35	A"	403	384	0.31
36	A"	302	288	0.36
37	A"	280	266	0.00
38	A"	219	209	0.09
39	A"	280i	267i	19.27

All results from a given calculation for C(CH₃)₃SH (2-Propanethiol, 2-methyl-)

using model chemistry: M06-2X/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 C(CH3)3SH (2-Propanethiol, 2-methyl-)

using model chemistry: M06-2X/6-31+G**

States and conformations

All results from a given calculation for C(CH₃)₃SH (2-Propanethiol, 2-methyl-)