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	hartrees
Energy at 0K	-624.813740
Energy at 298.15K	-624.821182
HF Energy	-624.206248
Nuclear repulsion energy	285.659373

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3184	3029	4.42
2	A	3167	3013	3.61
3	A	3166	3012	1.11
4	A	3118	2966	16.04
5	A	3106	2955	9.15
6	A	3099	2948	2.72
7	A	1662	1581	68.48
8	A	1577	1500	3.43
9	A	1545	1469	7.95
10	A	1541	1466	10.03
11	A	1375	1308	4.61
12	A	1359	1293	12.07
13	A	1297	1233	6.85
14	A	1256	1195	2.35
15	A	1219	1160	0.45
16	A	1172	1115	3.04
17	A	1089	1036	77.66
18	A	1028	978	2.08
19	A	991	943	11.07
20	A	918	873	9.00
21	A	865	823	2.30
22	A	785	747	1.80
23	A	711	676	4.99
24	A	685	651	0.75
25	A	568	541	2.53
26	A	490	466	2.93
27	A	451	429	0.13
28	A	427	406	6.59
29	A	201	191	2.39
30	A	52	49	9.38

Atom	x (Å)	y (Å)	z (Å)
C1	-1.187	-0.085	-0.019
C2	-0.512	1.285	-0.239
H3	-1.113	2.068	0.233
H4	-0.467	1.470	-1.321
C5	0.917	1.188	0.330
H6	0.913	1.292	1.419
H7	1.590	1.931	-0.103
C8	-0.124	-1.218	0.143
S9	1.522	-0.489	-0.144
H10	-0.327	-2.007	-0.587
O11	-2.413	-0.288	0.027
H12	-0.210	-1.640	1.150

	C1	C2	H3	H4	C5	H6	H7	C8	S9	H10	O11	H12
C1		1.5429	2.1688	2.1517	2.4835	2.8933	3.4321	1.5619	2.7412	2.1810	1.2436	2.1767
C2	1.5429		1.0937	1.0978	1.5419	2.1865	2.2033	2.5623	2.7011	3.3159	2.4811	3.2524
H3	2.1688	1.0937		1.7857	2.2148	2.4721	2.7269	3.4330	3.6908	4.2304	2.6981	3.9247
H4	2.1517	1.0978	1.7857		2.1724	3.0722	2.4337	3.0799	3.0294	3.5563	2.9481	3.9801
C5	2.4835	1.5419	2.2148	2.1724		1.0937	1.0920	2.6286	1.8446	3.5493	3.6547	3.1528
H6	2.8933	2.1865	2.4721	3.0722	1.0937		1.7841	3.0011	2.4464	4.0554	3.9360	3.1512
H7	3.4321	2.2033	2.7269	2.4337	1.0920	1.7841		3.5940	2.4217	4.4065	4.5781	4.1908
C8	1.5619	2.5623	3.4330	3.0799	2.6286	3.0011	3.5940		1.8228	1.0936	2.4734	1.0956
S9	2.7412	2.7011	3.6908	3.0294	1.8446	2.4464	2.4217	1.8228		2.4328	3.9433	2.4491
H10	2.1810	3.3159	4.2304	3.5563	3.5493	4.0554	4.4065	1.0936	2.4328		2.7721	1.7798
O11	1.2436	2.4811	2.6981	2.9481	3.6547	3.9360	4.5781	2.4734	3.9433	2.7721		2.8180
H12	2.1767	3.2524	3.9247	3.9801	3.1528	3.1512	4.1908	1.0956	2.4491	1.7798	2.8180

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H3	109.506	C1	C2	H4	107.950
C1	C2	C5	107.236	C1	C8	S9	107.918
C1	C8	H10	109.153	C1	C8	H12	108.713
C2	C1	C8	111.225	C2	C1	O11	125.503
C2	C5	H6	110.966	C2	C5	H7	112.425
C2	C5	S9	105.455	H3	C2	H4	109.140
H3	C2	C5	113.254	H4	C2	C5	109.611
C5	S9	C8	91.574	H6	C5	H7	109.427
H6	C5	S9	110.096	H7	C5	S9	108.369
C8	C1	O11	123.273	S9	C8	H10	110.556
S9	C8	H12	111.675	H10	C8	H12	108.775

All results from a given calculation for C₄H₆OS (Dihydro-3-(2H)-thiophenone)

using model chemistry: MP2/3-21G*

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 C4H6OS (Dihydro-3-(2H)-thiophenone)

using model chemistry: MP2/3-21G*

States and conformations

All results from a given calculation for C₄H₆OS (Dihydro-3-(2H)-thiophenone)