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	hartrees
Energy at 0K	-36.256936
Energy at 298.15K	-36.263569
Nuclear repulsion energy	85.750714

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3217	3079	22.26
2	A₁	3074	2943	0.18
3	A₁	1732	1658	9.37
4	A₁	1481	1418	6.62
5	A₁	1292	1236	0.73
6	A₁	1113	1066	0.14
7	A₁	977	935	0.05
8	A₁	730	698	2.19
9	A₁	502	480	0.20
10	A₂	3120	2987	0.00
11	A₂	1128	1080	0.00
12	A₂	962	921	0.00
13	A₂	934	894	0.00
14	A₂	342	327	0.00
15	B₁	3123	2989	39.55
16	B₁	1115	1067	16.57
17	B₁	888	850	0.53
18	B₁	681	652	72.09
19	B₁	77	74	4.74
20	B₂	3186	3050	4.59
21	B₂	3075	2943	78.14
22	B₂	1475	1411	0.39
23	B₂	1345	1288	1.33
24	B₂	1247	1193	10.05
25	B₂	985	943	7.84
26	B₂	804	769	0.37
27	B₂	650	622	0.17

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	1.253
C2	0.000	1.359	0.006
C3	0.000	-1.359	0.006
C4	0.000	0.679	-1.347
C5	0.000	-0.679	-1.347
H6	-0.891	1.994	0.140
H7	0.891	1.994	0.140
H8	0.891	-1.994	0.140
H9	-0.891	-1.994	0.140
H10	0.000	1.279	-2.262
H11	0.000	-1.279	-2.262

	S1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11
S1		1.8443	1.8443	2.6869	2.6869	2.4517	2.4517	2.4517	2.4517	3.7404	3.7404
C2	1.8443		2.7177	1.5138	2.4461	1.1027	1.1027	3.4721	3.4721	2.2693	3.4787
C3	1.8443	2.7177		2.4461	1.5138	3.4721	3.4721	1.1027	1.1027	3.4787	2.2693
C4	2.6869	1.5138	2.4461		1.3584	2.1755	2.1755	3.1860	3.1860	1.0943	2.1615
C5	2.6869	2.4461	1.5138	1.3584		3.1860	3.1860	2.1755	2.1755	2.1615	1.0943
H6	2.4517	1.1027	3.4721	2.1755	3.1860		1.7826	4.3687	3.9884	2.6596	4.1564
H7	2.4517	1.1027	3.4721	2.1755	3.1860	1.7826		3.9884	4.3687	2.6596	4.1564
H8	2.4517	3.4721	1.1027	3.1860	2.1755	4.3687	3.9884		1.7826	4.1564	2.6596
H9	2.4517	3.4721	1.1027	3.1860	2.1755	3.9884	4.3687	1.7826		4.1564	2.6596
H10	3.7404	2.2693	3.4787	1.0943	2.1615	2.6596	2.6596	4.1564	4.1564		2.5579
H11	3.7404	3.4787	2.2693	2.1615	1.0943	4.1564	4.1564	2.6596	2.6596	2.5579

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	C4	105.863	S1	C2	H6	110.033
S1	C2	H7	110.033	S1	C3	C5	105.863
S1	C3	H8	110.033	S1	C3	H9	110.033
C2	S1	C3	94.917	C2	C4	C5	116.679
C2	C4	H10	120.087	C3	C5	C4	116.679
C3	C5	H11	120.087	C4	C2	H6	111.532
C4	C2	H7	111.532	C4	C5	H11	123.234
C5	C3	H8	111.532	C5	C3	H9	111.532
C5	C4	H10	123.234	H6	C2	H7	107.857
H8	C3	H9	107.857

All results from a given calculation for C₄H₆S (Thiophene, 2,5-dihydro-)

using model chemistry: B1B95/CEP-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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Number	Element	Mulliken
1	S	-0.085
2	C	-0.311
3	C	-0.311
4	C	-0.265
5	C	-0.265
6	H	0.169
7	H	0.169
8	H	0.169
9	H	0.169
10	H	0.281
11	H	0.281

<r²>	0.000
(<r²>)^1/2	0.000

All results from a given calculation for C4H6S (Thiophene, 2,5-dihydro-)

using model chemistry: B1B95/CEP-31G*

States and conformations

All results from a given calculation for C₄H₆S (Thiophene, 2,5-dihydro-)