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	hartrees
Energy at 0K	-265.214397
Energy at 298.15K	-265.216049
HF Energy	-264.451462
Nuclear repulsion energy	143.462137

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3787	3633	86.53
2	A'	3474	3333	47.68
3	A'	2203	2113	70.32
4	A'	1849	1774	317.91
5	A'	1402	1345	91.03
6	A'	1223	1174	353.95
7	A'	830	796	35.08
8	A'	661	634	32.68
9	A'	586	563	5.51
10	A'	533	512	23.51
11	A'	186	179	4.20
12	A"	781	750	67.36
13	A"	704	675	10.74
14	A"	596	572	84.77
15	A"	251	241	7.00

Atom	x (Å)	y (Å)
C1	0.000	0.504
C2	-0.221	-0.949
C3	-0.469	-2.147
O4	1.317	0.798
O5	-0.885	1.327
H6	-0.677	-3.205
H7	1.360	1.769

	C1	C2	C3	O4	O5	H6	H7
C1		1.4696	2.6919	1.3495	1.2089	3.7700	1.8579
C2	1.4696		1.2232	2.3275	2.3711	2.3014	3.1449
C3	2.6919	1.2232		3.4439	3.4989	1.0782	4.3224
O4	1.3495	2.3275	3.4439		2.2650	4.4719	0.9726
O5	1.2089	2.3711	3.4989	2.2650		4.5367	2.2884
H6	3.7700	2.3014	1.0782	4.4719	4.5367		5.3753
H7	1.8579	3.1449	4.3224	0.9726	2.2884	5.3753

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	176.961	C1	O4	H7	105.118
C2	C1	O4	111.231	C2	C1	O5	124.275
C2	C3	H6	179.453	O4	C1	O5	124.493

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

using model chemistry: QCISD/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: QCISD/cc-pVDZ

States and conformations

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