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	hartrees
Energy at 0K	-265.330098
Energy at 298.15K	-265.331734
HF Energy	-264.457128
Nuclear repulsion energy	144.466003

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3781	3572	100.05
2	A'	3529	3334	65.14
3	A'	2177	2056	65.40
4	A'	1820	1719	251.24
5	A'	1388	1311	100.21
6	A'	1193	1127	335.61
7	A'	833	786	27.79
8	A'	660	624	33.44
9	A'	592	559	4.51
10	A'	529	500	25.97
11	A'	188	178	4.20
12	A"	785	741	55.54
13	A"	655	619	6.72
14	A"	627	592	98.66
15	A"	248	234	5.00

Atom	x (Å)	y (Å)
C1	0.000	0.493
C2	-0.223	-0.935
C3	-0.478	-2.122
O4	1.316	0.775
O5	-0.875	1.325
H6	-0.691	-3.163
H7	1.368	1.743

	C1	C2	C3	O4	O5	H6	H7
C1		1.4460	2.6590	1.3460	1.2075	3.7213	1.8529
C2	1.4460		1.2140	2.3009	2.3529	2.2765	3.1151
C3	2.6590	1.2140		3.4080	3.4702	1.0625	4.2834
O4	1.3460	2.3009	3.4080		2.2596	4.4203	0.9691
O5	1.2075	2.3529	3.4702	2.2596		4.4921	2.2822
H6	3.7213	2.2765	1.0625	4.4203	4.4921		5.3207
H7	1.8529	3.1151	4.2834	0.9691	2.2822	5.3207

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	176.709	C1	O4	H7	105.157
C2	C1	O4	110.939	C2	C1	O5	124.678
C2	C3	H6	179.407	O4	C1	O5	124.384

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

using model chemistry: MP2/6-31G(2df,p)

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: MP2/6-31G(2df,p)

States and conformations

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