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	hartrees
Energy at 0K	-552.001606
Energy at 298.15K	-552.005926
HF Energy	-551.302028
Nuclear repulsion energy	202.696400

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3334	3132	1.77
2	A₁	3304	3103	2.47
3	A₁	1475	1386	8.97
4	A₁	1425	1338	2.69
5	A₁	1126	1058	5.51
6	A₁	1088	1022	3.27
7	A₁	885	831	25.28
8	A₁	629	590	0.01
9	A₂	837	786	0.00
10	A₂	656	616	0.00
11	A₂	520	488	0.00
12	B₁	840	789	0.09
13	B₁	716	672	161.50
14	B₁	443	416	1.88
15	B₂	3332	3129	0.01
16	B₂	3291	3091	3.53
17	B₂	1553	1459	0.24
18	B₂	1308	1228	10.93
19	B₂	1127	1059	5.40
20	B₂	908	853	1.28
21	B₂	777	730	0.31

Atom	y (Å)	z (Å)
S1	0.000	1.191
C2	1.233	0.000
C3	-1.233	0.000
C4	0.709	-1.275
C5	-0.709	-1.275
H6	2.270	0.291
H7	-2.270	0.291
H8	1.322	-2.165
H9	-1.322	-2.165

	S1	C2	C3	C4	C5	H6	H7	H8	H9
S1		1.7138	1.7138	2.5658	2.5658	2.4419	2.4419	3.6061	3.6061
C2	1.7138		2.4656	1.3786	2.3235	1.0775	3.5151	2.1666	3.3483
C3	1.7138	2.4656		2.3235	1.3786	3.5151	1.0775	3.3483	2.1666
C4	2.5658	1.3786	2.3235		1.4189	2.2113	3.3663	1.0797	2.2172
C5	2.5658	2.3235	1.3786	1.4189		3.3663	2.2113	2.2172	1.0797
H6	2.4419	1.0775	3.5151	2.2113	3.3663		4.5405	2.6327	4.3511
H7	2.4419	3.5151	1.0775	3.3663	2.2113	4.5405		4.3511	2.6327
H8	3.6061	2.1666	3.3483	1.0797	2.2172	2.6327	4.3511		2.6431
H9	3.6061	3.3483	2.1666	2.2172	1.0797	4.3511	2.6327	2.6431

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	C4	111.686	S1	C2	H6	120.330
S1	C3	C5	111.686	S1	C3	H7	120.330
C2	S1	C3	92.004	C2	C4	C5	112.312
C2	C4	H8	123.153	C3	C5	C4	112.312
C3	C5	H9	123.153	C4	C2	H6	127.985
C4	C5	H9	124.535	C5	C3	H7	127.985
C5	C4	H8	124.535

All results from a given calculation for C₄H₄S (Thiophene)

using model chemistry: MP2=FULL/6-31+G**

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 C4H4S (Thiophene)

using model chemistry: MP2=FULL/6-31+G**

States and conformations

All results from a given calculation for C₄H₄S (Thiophene)