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	hartrees
Energy at 0K	-554.300241
Energy at 298.15K	-554.307116
HF Energy	-554.300241
Nuclear repulsion energy	216.570579

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3217	3112	4.92
2	A	3184	3080	2.06
3	A	3124	3022	8.90
4	A	3064	2965	39.21
5	A	3049	2950	6.46
6	A	2989	2892	38.82
7	A	1634	1581	17.28
8	A	1492	1443	1.65
9	A	1477	1429	2.57
10	A	1342	1299	0.34
11	A	1326	1283	4.86
12	A	1284	1242	13.68
13	A	1205	1165	1.90
14	A	1146	1109	1.06
15	A	1122	1085	0.60
16	A	1017	984	5.06
17	A	994	961	3.59
18	A	933	903	0.64
19	A	912	883	3.02
20	A	857	829	1.73
21	A	787	761	21.95
22	A	693	670	29.62
23	A	675	653	28.73
24	A	648	627	5.64
25	A	503	486	0.38
26	A	413	399	1.62
27	A	155	150	0.88

Atom	x (Å)	y (Å)	z (Å)
C1	-0.077	-1.272	0.189
H2	-0.051	-1.563	1.238
H3	0.114	-2.147	-0.426
C4	-1.395	-0.561	-0.159
H5	-2.210	-0.950	0.454
H6	-1.670	-0.742	-1.204
C7	0.113	1.281	0.075
H8	0.488	2.290	0.151
C9	-1.164	0.913	0.055
H10	-1.981	1.618	0.115
S11	1.278	-0.042	-0.081

	C1	H2	H3	C4	H5	H6	C7	H8	C9	H10	S11
C1		1.0890	1.0864	1.5373	2.1737	2.1813	2.5630	3.6071	2.4445	3.4622	1.8504
H2	1.0890		1.7715	2.1818	2.3778	3.0427	3.0771	4.0396	2.9612	3.8868	2.4124
H3	1.0864	1.7715		2.2058	2.7588	2.4003	3.4648	4.4903	3.3513	4.3430	2.4308
C4	1.5373	2.1818	2.2058		1.0914	1.0963	2.3914	3.4304	1.5069	2.2729	2.7241
H5	2.1737	2.3778	2.7588	1.0914		1.7560	3.2427	4.2270	2.1732	2.6001	3.6442
H6	2.1813	3.0427	2.4003	1.0963	1.7560		2.9843	3.9606	2.1403	2.7217	3.2318
C7	2.5630	3.0771	3.4648	2.3914	3.2427	2.9843		1.0792	1.3288	2.1211	1.7700
H8	3.6071	4.0396	4.4903	3.4304	4.2270	3.9606	1.0792		2.1529	2.5594	2.4728
C9	2.4445	2.9612	3.3513	1.5069	2.1732	2.1403	1.3288	2.1529		1.0810	2.6259
H10	3.4622	3.8868	4.3430	2.2729	2.6001	2.7217	2.1211	2.5594	1.0810		3.6631
S11	1.8504	2.4124	2.4308	2.7241	3.6442	3.2318	1.7700	2.4728	2.6259	3.6631

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C4	H5	110.419	C1	C4	H6	110.722
C1	C4	C9	106.829	C1	S11	C7	90.106
H2	C1	H3	109.041	H2	C1	C4	111.202
H2	C1	S11	107.465	H3	C1	C4	113.310
H3	C1	S11	108.933	C4	C1	S11	106.684
C4	C9	C7	114.838	C4	C9	H10	122.011
H5	C4	H6	106.774	H5	C4	C9	112.540
H6	C4	C9	109.599	C7	C9	H10	123.009
H8	C7	C9	126.464	H8	C7	S11	118.402
C9	C7	S11	115.117

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

using model chemistry: B3LYP/aug-cc-pVTZ

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: B3LYP/aug-cc-pVTZ

States and conformations

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