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	hartrees
Energy at 0K	-49.272261
Energy at 298.15K	-49.273640
HF Energy	-48.798951
Nuclear repulsion energy	71.545858

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3628	3506	65.89
2	A'	3458	3341	38.91
3	A'	2098	2028	56.62
4	A'	1609	1555	220.29
5	A'	1316	1272	53.47
6	A'	1093	1056	465.57
7	A'	779	753	13.90
8	A'	698	675	49.86
9	A'	545	527	6.96
10	A'	483	467	24.56
11	A'	138	134	4.93
12	A"	706	682	90.20
13	A"	646	624	5.15
14	A"	592	572	194.35
15	A"	231	223	3.73

Atom	x (Å)	y (Å)
C1	0.000	0.500
C2	-0.251	-0.964
C3	-0.552	-2.204
O4	1.390	0.774
O5	-0.882	1.414
H6	-0.793	-3.252
H7	1.548	1.755

	C1	C2	C3	O4	O5	H6	H7
C1		1.4856	2.7596	1.4169	1.2698	3.8354	1.9930
C2	1.4856		1.2757	2.3907	2.4600	2.3516	3.2607
C3	2.7596	1.2757		3.5555	3.6323	1.0760	4.4817
O4	1.4169	2.3907	3.5555		2.3603	4.5803	0.9937
O5	1.2698	2.4600	3.6323	2.3603		4.6669	2.4538
H6	3.8354	2.3516	1.0760	4.5803	4.6669		5.5279
H7	1.9930	3.2607	4.4817	0.9937	2.4538	5.5279

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	176.071	C1	O4	H7	110.300
C2	C1	O4	110.887	C2	C1	O5	126.280
C2	C3	H6	179.254	O4	C1	O5	122.833

All results from a given calculation for C₃H₂O₂ (Propiolic acid)

using model chemistry: MP2/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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All results from a given calculation for C3H2O2 (Propiolic acid)

using model chemistry: MP2/CEP-31G

States and conformations

All results from a given calculation for C₃H₂O₂ (Propiolic acid)