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	hartrees
Energy at 0K	-265.302346
Energy at 298.15K	-265.304021
HF Energy	-264.500220
Nuclear repulsion energy	144.302210

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3841	3664	84.80
2	A'	3486	3326	44.63
3	A'	2207	2106	72.33
4	A'	1847	1762	332.84
5	A'	1400	1336	81.29
6	A'	1221	1165	376.40
7	A'	834	796	35.82
8	A'	705	672	34.42
9	A'	600	572	4.68
10	A'	541	516	24.64
11	A'	194	185	4.77
12	A"	781	745	81.68
13	A"	728	695	4.04
14	A"	551	526	88.60
15	A"	246	235	6.70

Atom	x (Å)	y (Å)
C1	0.000	0.500
C2	-0.241	-0.941
C3	-0.474	-2.129
O4	1.317	0.775
O5	-0.869	1.332
H6	-0.684	-3.174
H7	1.384	1.738

	C1	C2	C3	O4	O5	H6	H7
C1		1.4615	2.6711	1.3458	1.2025	3.7376	1.8570
C2	1.4615		1.2099	2.3187	2.3580	2.2765	3.1340
C3	2.6711	1.2099		3.4119	3.4828	1.0667	4.2900
O4	1.3458	2.3187	3.4119		2.2557	4.4279	0.9652
O5	1.2025	2.3580	3.4828	2.2557		4.5097	2.2892
H6	3.7376	2.2765	1.0667	4.4279	4.5097		5.3302
H7	1.8570	3.1340	4.2900	0.9652	2.2892	5.3302

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	178.424	C1	O4	H7	105.766
C2	C1	O4	111.301	C2	C1	O5	124.245
C2	C3	H6	179.692	O4	C1	O5	124.454

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

using model chemistry: QCISD/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 C3H2O2 (Propiolic acid)

using model chemistry: QCISD/6-311G**

States and conformations

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