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	hartrees
Energy at 0K	-516.424253
Energy at 298.15K	-516.432642
HF Energy	-515.825098
Nuclear repulsion energy	169.637266

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3187	3028	7.82
2	A'	3170	3012	20.09
3	A'	3081	2928	16.17
4	A'	3080	2927	13.86
5	A'	3077	2924	53.05
6	A'	1522	1447	1.99
7	A'	1508	1433	0.24
8	A'	1499	1424	11.74
9	A'	1432	1360	3.61
10	A'	1398	1329	3.55
11	A'	1339	1272	28.63
12	A'	1112	1057	3.80
13	A'	1027	976	0.77
14	A'	988	939	5.90
15	A'	772	733	0.84
16	A'	720	685	0.55
17	A'	357	339	0.91
18	A'	203	193	0.49
19	A"	3177	3018	17.17
20	A"	3170	3012	19.85
21	A"	3133	2977	12.77
22	A"	1509	1434	8.38
23	A"	1474	1400	7.60
24	A"	1288	1224	0.21
25	A"	1084	1030	2.20
26	A"	1000	950	5.09
27	A"	810	770	4.29
28	A"	264	251	0.08
29	A"	161	153	0.39
30	A"	66	62	0.49

Atom	x (Å)	y (Å)	z (Å)
C1	1.711	-1.321	0.000
H2	1.851	-2.406	0.000
H3	2.205	-0.913	0.886
H4	2.205	-0.913	-0.886
C5	0.224	-0.982	0.000
H6	-0.259	-1.404	-0.888
H7	-0.259	-1.404	0.888
S8	0.000	0.815	0.000
C9	-1.804	0.859	0.000
H10	-2.212	0.381	-0.894
H11	-2.212	0.381	0.894
H12	-2.106	1.909	0.000

	C1	H2	H3	H4	C5	H6	H7	S8	C9	H10	H11	H12
C1		1.0936	1.0931	1.0931	1.5259	2.1622	2.1622	2.7370	4.1367	4.3692	4.3692	5.0002
H2	1.0936		1.7714	1.7714	2.1626	2.4986	2.4986	3.7146	4.9011	5.0075	5.0075	5.8541
H3	1.0931	1.7714		1.7716	2.1714	3.0749	2.5119	2.9382	4.4720	4.9349	4.6029	5.2278
H4	1.0931	1.7714	1.7716		2.1714	2.5119	3.0749	2.9382	4.4720	4.6029	4.9349	5.2278
C5	1.5259	2.1626	2.1714	2.1714		1.0948	1.0948	1.8102	2.7387	2.9307	2.9307	3.7121
H6	2.1622	2.4986	3.0749	2.5119	1.0948		1.7755	2.4032	2.8805	2.6460	3.1898	3.8950
H7	2.1622	2.4986	2.5119	3.0749	1.0948	1.7755		2.4032	2.8805	3.1898	2.6460	3.8950
S8	2.7370	3.7146	2.9382	2.9382	1.8102	2.4032	2.4032		1.8045	2.4249	2.4249	2.3728
C9	4.1367	4.9011	4.4720	4.4720	2.7387	2.8805	2.8805	1.8045		1.0927	1.0927	1.0918
H10	4.3692	5.0075	4.9349	4.6029	2.9307	2.6460	3.1898	2.4249	1.0927		1.7873	1.7730
H11	4.3692	5.0075	4.6029	4.9349	2.9307	3.1898	2.6460	2.4249	1.0927	1.7873		1.7730
H12	5.0002	5.8541	5.2278	5.2278	3.7121	3.8950	3.8950	2.3728	1.0918	1.7730	1.7730

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C5	H6	110.097	C1	C5	H7	110.097
C1	C5	S8	109.960	H2	C1	H3	108.208
H2	C1	H4	108.208	H2	C1	C5	110.203
H3	C1	H4	108.255	H3	C1	C5	110.935
H4	C1	C5	110.935	C5	S8	C9	98.518
H6	C5	H7	108.362	H6	C5	S8	109.146
H7	C5	S8	109.146	S8	C9	H10	111.261
S8	C9	H11	111.261	S8	C9	H12	107.457
H10	C9	H11	109.738	H10	C9	H12	108.510
H11	C9	H12	108.510

All results from a given calculation for CH₃SCH₂CH₃ (Ethane, (methylthio)-)

using model chemistry: MP2/6-311G**

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 CH3SCH2CH3 (Ethane, (methylthio)-)

using model chemistry: MP2/6-311G**

States and conformations

All results from a given calculation for CH₃SCH₂CH₃ (Ethane, (methylthio)-)