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	hartrees
Energy at 0K	-265.248822
Energy at 298.15K	-265.250246
HF Energy	-264.465005
Nuclear repulsion energy	142.915881

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3728	3575	100.62
2	A'	3481	3339	58.51
3	A'	2134	2046	61.06
4	A'	1756	1684	301.51
5	A'	1353	1298	82.99
6	A'	1173	1125	387.83
7	A'	819	785	20.85
8	A'	622	596	33.52
9	A'	565	542	6.11
10	A'	517	496	22.95
11	A'	152	146	4.65
12	A"	755	724	53.59
13	A"	625	599	46.61
14	A"	594	570	61.19
15	A"	198	190	4.46

Atom	x (Å)	y (Å)
C1	0.000	0.497
C2	-0.218	-0.944
C3	-0.481	-2.149
O4	1.328	0.794
O5	-0.889	1.332
H6	-0.696	-3.202
H7	1.381	1.768

	C1	C2	C3	O4	O5	H6	H7
C1		1.4574	2.6890	1.3606	1.2201	3.7636	1.8769
C2	1.4574		1.2330	2.3264	2.3733	2.3077	3.1484
C3	2.6890	1.2330		3.4544	3.5050	1.0748	4.3367
O4	1.3606	2.3264	3.4544		2.2812	4.4794	0.9749
O5	1.2201	2.3733	3.5050	2.2812		4.5383	2.3117
H6	3.7636	2.3077	1.0748	4.4794	4.5383		5.3863
H7	1.8769	3.1484	4.3367	0.9749	2.3117	5.3863

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	176.311	C1	O4	H7	105.773
C2	C1	O4	111.241	C2	C1	O5	124.607
C2	C3	H6	179.251	O4	C1	O5	124.151

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

using model chemistry: MP2/aug-cc-pVDZ

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/aug-cc-pVDZ

States and conformations

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