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	hartrees
Energy at 0K	-265.544720
Energy at 298.15K	-265.546332
HF Energy	-264.550875
Nuclear repulsion energy	144.540146

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3755	3566	110.68
2	A'	3484	3308	60.11
3	A'	2152	2044	61.42
4	A'	1780	1690	308.88
5	A'	1363	1294	108.58
6	A'	1176	1117	359.83
7	A'	828	786	25.17
8	A'	679	645	31.81
9	A'	588	558	5.46
10	A'	527	501	23.91
11	A'	178	169	5.43
12	A"	770	731	52.53
13	A"	685	650	21.40
14	A"	610	580	82.61
15	A"	235	223	6.86

Atom	x (Å)	y (Å)
C1	0.000	0.491
C2	-0.221	-0.937
C3	-0.473	-2.122
O4	1.314	0.784
O5	-0.879	1.318
H6	-0.685	-3.163
H7	1.369	1.751

	C1	C2	C3	O4	O5	H6	H7
C1		1.4446	2.6550	1.3461	1.2071	3.7168	1.8611
C2	1.4446		1.2114	2.3060	2.3490	2.2735	3.1233
C3	2.6550	1.2114		3.4114	3.4638	1.0621	4.2889
O4	1.3461	2.3060	3.4114		2.2566	4.4240	0.9687
O5	1.2071	2.3490	3.4638	2.2566		4.4848	2.2893
H6	3.7168	2.2735	1.0621	4.4240	4.4848		5.3259
H7	1.8611	3.1233	4.2889	0.9687	2.2893	5.3259

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	176.792	C1	O4	H7	105.880
C2	C1	O4	111.398	C2	C1	O5	124.476
C2	C3	H6	179.511	O4	C1	O5	124.126

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

using model chemistry: MP2/aug-cc-pVQZ

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-pVQZ

States and conformations

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