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	hartrees
Energy at 0K	-265.193158
Energy at 298.15K	-265.194773
HF Energy	-264.432785
Nuclear repulsion energy	143.809739

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3806	3557	91.08
2	A'	3541	3308	56.05
3	A'	2184	2041	65.11
4	A'	1822	1703	254.10
5	A'	1395	1303	115.76
6	A'	1200	1121	354.48
7	A'	837	782	27.11
8	A'	653	610	36.68
9	A'	591	552	3.80
10	A'	530	495	27.72
11	A'	188	175	3.82
12	A"	770	720	72.45
13	A"	642	600	8.41
14	A"	617	576	108.03
15	A"	256	239	4.00

Atom	x (Å)	y (Å)
C1	0.000	0.492
C2	-0.221	-0.939
C3	-0.477	-2.131
O4	1.322	0.782
O5	-0.884	1.329
H6	-0.688	-3.172
H7	1.376	1.752

	C1	C2	C3	O4	O5	H6	H7
C1		1.4478	2.6656	1.3529	1.2174	3.7280	1.8657
C2	1.4478		1.2189	2.3106	2.3629	2.2815	3.1288
C3	2.6656	1.2189		3.4229	3.4833	1.0626	4.3019
O4	1.3529	2.3106	3.4229		2.2725	4.4352	0.9715
O5	1.2174	2.3629	3.4833	2.2725		4.5052	2.2995
H6	3.7280	2.2815	1.0626	4.4352	4.5052		5.3390
H7	1.8657	3.1288	4.3019	0.9715	2.2995	5.3390

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	176.625	C1	O4	H7	105.592
C2	C1	O4	111.135	C2	C1	O5	124.662
C2	C3	H6	179.315	O4	C1	O5	124.203

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

using model chemistry: MP2=FULL/6-31G**

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=FULL/6-31G**

States and conformations

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