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	hartrees
Energy at 0K	-265.476341
Energy at 298.15K	-265.478001
HF Energy	-264.536074
Nuclear repulsion energy	144.648160

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3796	3653	97.07
2	A'	3473	3342	48.04
3	A'	2219	2136	71.77
4	A'	1824	1755	361.50
5	A'	1388	1336	93.89
6	A'	1207	1161	361.09
7	A'	832	800	30.10
8	A'	683	657	34.97
9	A'	596	573	5.16
10	A'	534	514	24.27
11	A'	184	177	5.20
12	A"	781	752	63.54
13	A"	728	701	15.10
14	A"	596	573	81.62
15	A"	235	226	7.43

Atom	x (Å)	y (Å)
C1	0.000	0.494
C2	-0.236	-0.940
C3	-0.475	-2.121
O4	1.314	0.777
O5	-0.869	1.325
H6	-0.685	-3.163
H7	1.384	1.741

	C1	C2	C3	O4	O5	H6	H7
C1		1.4540	2.6576	1.3443	1.2022	3.7204	1.8628
C2	1.4540		1.2040	2.3138	2.3526	2.2669	3.1330
C3	2.6576	1.2040		3.4054	3.4686	1.0629	4.2857
O4	1.3443	2.3138	3.4054		2.2506	4.4178	0.9665
O5	1.2022	2.3526	3.4686	2.2506		4.4918	2.2906
H6	3.7204	2.2669	1.0629	4.4178	4.4918		5.3221
H7	1.8628	3.1330	4.2857	0.9665	2.2906	5.3221

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	177.926	C1	O4	H7	106.287
C2	C1	O4	111.495	C2	C1	O5	124.393
C2	C3	H6	179.977	O4	C1	O5	124.113

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

using model chemistry: QCISD/aug-cc-pVTZ

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/aug-cc-pVTZ

States and conformations

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