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	hartrees
Energy at 0K	-552.463495
Energy at 298.15K	-552.470663
Nuclear repulsion energy	217.397932

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3401	3070	11.70
2	A	3362	3034	4.29
3	A	3298	2976	16.97
4	A	3240	2925	56.16
5	A	3223	2909	11.22
6	A	3175	2866	46.66
7	A	1823	1645	7.49
8	A	1630	1471	0.85
9	A	1608	1451	1.32
10	A	1481	1336	0.27
11	A	1453	1312	3.09
12	A	1407	1270	16.82
13	A	1327	1198	2.38
14	A	1256	1134	1.02
15	A	1225	1105	0.53
16	A	1116	1007	5.77
17	A	1073	968	3.09
18	A	1060	957	2.19
19	A	978	882	2.36
20	A	929	839	1.37
21	A	858	774	20.02
22	A	777	701	44.18
23	A	753	680	12.12
24	A	710	641	4.33
25	A	547	494	0.40
26	A	441	398	2.00
27	A	159	143	1.44

Atom	x (Å)	y (Å)	z (Å)
C1	-0.050	-1.267	0.190
H2	-0.030	-1.558	1.232
H3	0.144	-2.139	-0.419
C4	-1.383	-0.580	-0.157
H5	-2.185	-0.973	0.460
H6	-1.657	-0.768	-1.194
C7	0.092	1.282	0.076
H8	0.445	2.292	0.164
C9	-1.169	0.900	0.049
H10	-1.992	1.588	0.116
S11	1.271	-0.029	-0.082

	C1	H2	H3	C4	H5	H6	C7	H8	C9	H10	S11
C1		1.0825	1.0809	1.5386	2.1712	2.1778	2.5554	3.5928	2.4424	3.4534	1.8310
H2	1.0825		1.7584	2.1717	2.3620	3.0257	3.0690	4.0233	2.9558	3.8720	2.3995
H3	1.0809	1.7584		2.1975	2.7482	2.3919	3.4571	4.4789	3.3432	4.3289	2.4161
C4	1.5386	2.1717	2.1975		1.0855	1.0888	2.3867	3.4193	1.5098	2.2687	2.7116
H5	2.1712	2.3620	2.7482	1.0855		1.7485	3.2271	4.2024	2.1700	2.5911	3.6229
H6	2.1778	3.0257	2.3919	1.0888	1.7485		2.9789	3.9529	2.1373	2.7171	3.2180
C7	2.5554	3.0690	3.4571	2.3867	3.2271	2.9789		1.0732	1.3172	2.1067	1.7703
H8	3.5928	4.0233	4.4789	3.4193	4.2024	3.9529	1.0732		2.1340	2.5374	2.4752
C9	2.4424	2.9558	3.3432	1.5098	2.1700	2.1373	1.3172	2.1340		1.0752	2.6138
H10	3.4534	3.8720	4.3289	2.2687	2.5911	2.7171	2.1067	2.5374	1.0752		3.6472
S11	1.8310	2.3995	2.4161	2.7116	3.6229	3.2180	1.7703	2.4752	2.6138	3.6472

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C4	H5	110.477	C1	C4	H6	110.809
C1	C4	C9	106.489	C1	S11	C7	90.387
H2	C1	H3	108.743	H2	C1	C4	110.693
H2	C1	S11	108.123	H3	C1	C4	112.883
H3	C1	S11	109.432	C4	C1	S11	106.848
C4	C9	C7	115.015	C4	C9	H10	121.812
H5	C4	H6	107.062	H5	C4	C9	112.442
H6	C4	C9	109.606	C7	C9	H10	123.097
H8	C7	C9	126.129	H8	C7	S11	118.974
C9	C7	S11	114.887

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

using model chemistry: HF/6-31G**

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	CHELPG
1	C	-0.389	0.006
2	H	0.157	0.038
3	H	0.154	0.058
4	C	-0.235	0.235
5	H	0.133	-0.032
6	H	0.138	-0.035
7	C	-0.305	-0.169
8	H	0.171	0.192
9	C	-0.122	-0.190
10	H	0.147	0.103
11	S	0.152	-0.206

	x	y	z	Total
	-1.892	-0.262	0.247	1.926
CHELPG
AIM
ESP

	x	y	z
x	9.770	0.339	-0.089
y	0.339	8.158	0.088
z	-0.089	0.088	5.233

<r²>	127.307
(<r²>)^1/2	11.283

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

using model chemistry: HF/6-31G**

States and conformations

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