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	hartrees
Energy at 0K	-628.286040
Energy at 298.15K	-628.293759
HF Energy	-627.416923
Nuclear repulsion energy	292.094978

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3176	3018	12.30
2	A	3168	3010	6.20
3	A	3155	2998	10.75
4	A	3104	2949	20.71
5	A	3098	2944	20.77
6	A	3081	2928	6.97
7	A	1785	1696	284.66
8	A	1535	1459	0.97
9	A	1522	1447	8.63
10	A	1495	1421	9.99
11	A	1386	1317	0.28
12	A	1346	1279	11.72
13	A	1332	1265	4.05
14	A	1277	1214	2.60
15	A	1212	1152	2.57
16	A	1145	1088	9.38
17	A	1097	1042	59.90
18	A	1056	1003	7.45
19	A	1051	998	47.06
20	A	945	898	10.45
21	A	894	850	11.93
22	A	856	814	14.37
23	A	727	691	1.54
24	A	636	605	43.39
25	A	611	581	11.48
26	A	488	464	1.38
27	A	477	453	1.37
28	A	412	392	3.60
29	A	252	239	1.28
30	A	125	119	0.55

Atom	x (Å)	y (Å)	z (Å)
C1	-0.119	1.421	0.185
H2	-0.586	2.245	-0.360
H3	-0.112	1.682	1.251
C4	1.273	1.059	-0.305
H5	2.030	1.764	0.048
H6	1.291	1.055	-1.399
C7	1.564	-0.352	0.212
H8	1.811	-0.346	1.276
H9	2.373	-0.832	-0.340
C10	-0.998	0.184	0.033
O11	-2.199	0.164	-0.048
S12	0.030	-1.297	-0.053

	C1	H2	H3	C4	H5	H6	C7	H8	H9	C10	O11	S12
C1		1.0922	1.0975	1.5197	2.1813	2.1519	2.4449	2.8352	3.4006	1.5250	2.4412	2.7320
H2	1.0922		1.7706	2.2060	2.6914	2.4533	3.4195	3.8901	4.2691	2.1380	2.6510	3.6076
H3	1.0975	1.7706		2.1743	2.4586	3.0630	2.8330	2.7948	3.8766	2.1240	2.8888	3.2543
C4	1.5197	2.2060	2.1743		1.0938	1.0940	1.5304	2.1821	2.1878	2.4571	3.5947	2.6752
H5	2.1813	2.6914	2.4586	1.0938		1.7726	2.1738	2.4515	2.6476	3.4162	4.5232	3.6583
H6	2.1519	2.4533	3.0630	1.0940	1.7726		2.1563	3.0641	2.4196	2.8373	3.8472	2.9892
C7	2.4449	3.4195	2.8330	1.5304	2.1738	2.1563		1.0927	1.0909	2.6232	3.8068	1.8205
H8	2.8352	3.8901	2.7948	2.1821	2.4515	3.0641	1.0927		1.7788	3.1170	4.2536	2.4171
H9	3.4006	4.2691	3.8766	2.1878	2.6476	2.4196	1.0909	1.7788		3.5407	4.6887	2.4063
C10	1.5250	2.1380	2.1240	2.4571	3.4162	2.8373	2.6232	3.1170	3.5407		1.2039	1.8043
O11	2.4412	2.6510	2.8888	3.5947	4.5232	3.8472	3.8068	4.2536	4.6887	1.2039		2.6648
S12	2.7320	3.6076	3.2543	2.6752	3.6583	2.9892	1.8205	2.4171	2.4063	1.8043	2.6648

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C4	H5	112.123	C1	C4	H6	109.763
C1	C4	C7	106.555	C1	C10	O11	126.502
C1	C10	S12	110.007	H2	C1	H3	107.917
H2	C1	C4	114.257	H2	C1	C10	108.413
H3	C1	C4	111.335	H3	C1	C10	107.047
C4	C1	C10	107.603	C4	C7	H8	111.493
C4	C7	H9	112.059	C4	C7	S12	105.616
H5	C4	H6	108.239	H5	C4	C7	110.763
H6	C4	C7	109.372	C7	S12	C10	92.718
H8	C7	H9	109.101	H8	C7	S12	109.588
H9	C7	S12	108.890	O11	C10	S12	123.476

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

using model chemistry: MP2/6-311G*

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-2-(3H)-thiophenone)

using model chemistry: MP2/6-311G*

States and conformations

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