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	hartrees
Energy at 0K	-35.669420
Energy at 298.15K	-35.676194
HF Energy	-35.259009
Nuclear repulsion energy	84.647228

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3197	3120	13.62
2	A	3147	3071	7.38
3	A	3120	3045	20.19
4	A	3044	2971	38.35
5	A	3024	2951	23.87
6	A	2968	2897	47.34
7	A	1561	1524	8.79
8	A	1512	1476	2.05
9	A	1486	1450	1.82
10	A	1355	1323	3.06
11	A	1340	1308	5.16
12	A	1296	1265	21.66
13	A	1203	1174	1.36
14	A	1152	1124	0.58
15	A	1124	1097	0.75
16	A	1035	1010	5.43
17	A	1005	981	4.26
18	A	906	884	3.94
19	A	866	845	0.47
20	A	854	834	1.76
21	A	759	741	16.81
22	A	678	662	43.02
23	A	646	630	33.71
24	A	612	598	3.82
25	A	478	467	0.82
26	A	383	374	1.36
27	A	155	151	1.29

Atom	x (Å)	y (Å)	z (Å)
C1	-0.099	-1.305	0.221
H2	-0.088	-1.556	1.293
H3	0.097	-2.195	-0.393
C4	-1.433	-0.581	-0.183
H5	-2.271	-0.968	0.423
H6	-1.662	-0.769	-1.250
C7	0.097	1.330	0.084
H8	0.478	2.345	0.197
C9	-1.213	0.929	0.049
H10	-2.050	1.626	0.134
S11	1.336	-0.045	-0.090

	C1	H2	H3	C4	H5	H6	C7	H8	C9	H10	S11
C1		1.1005	1.0987	1.5706	2.2073	2.2126	2.6457	3.6949	2.5026	3.5226	1.9345
H2	1.1005		1.8121	2.2216	2.4221	3.0921	3.1343	4.0911	2.9981	3.9143	2.4944
H3	1.0987	1.8121		2.2332	2.7885	2.4206	3.5567	4.5934	3.4160	4.4144	2.4997
C4	1.5706	2.2216	2.2332		1.1039	1.1076	2.4621	3.5145	1.5437	2.3137	2.8215
H5	2.2073	2.4221	2.7885	1.1039		1.7910	3.3165	4.3098	2.2039	2.6191	3.7578
H6	2.2126	3.0921	2.4206	1.1076	1.7910		3.0463	4.0457	2.1850	2.7933	3.2953
C7	2.6457	3.1343	3.5567	2.4621	3.3165	3.0463		1.0897	1.3700	2.1684	1.8589
H8	3.6949	4.0911	4.5934	3.5145	4.3098	4.0457	1.0897		2.2095	2.6289	2.5554
C9	2.5026	2.9981	3.4160	1.5437	2.2039	2.1850	1.3700	2.2095		1.0930	2.7321
H10	3.5226	3.9143	4.4144	2.3137	2.6191	2.7933	2.1684	2.6289	1.0930		3.7830
S11	1.9345	2.4944	2.4997	2.8215	3.7578	3.2953	1.8589	2.5554	2.7321	3.7830

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C4	H5	110.008	C1	C4	H6	110.215
C1	C4	C9	106.940	C1	S11	C7	88.420
H2	C1	H3	110.971	H2	C1	C4	111.336
H2	C1	S11	107.339	H3	C1	C4	112.359
H3	C1	S11	107.798	C4	C1	S11	106.753
C4	C9	C7	115.218	C4	C9	H10	121.747
H5	C4	H6	108.160	H5	C4	C9	111.616
H6	C4	C9	109.910	C7	C9	H10	122.981
H8	C7	C9	127.500	H8	C7	S11	117.761
C9	C7	S11	114.739

All results from a given calculation for C₄H₆S (Thiophene, 2,3-dihydro-)

using model chemistry: MP2/CEP-121G

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 C4H6S (Thiophene, 2,3-dihydro-)

using model chemistry: MP2/CEP-121G

States and conformations

All results from a given calculation for C₄H₆S (Thiophene, 2,3-dihydro-)