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	hartrees
Energy at 0K	-265.174523
Energy at 298.15K	-265.176103
HF Energy	-264.423915
Nuclear repulsion energy	143.734943

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3680	3468	97.55
2	A'	3519	3315	54.30
3	A'	2185	2059	67.65
4	A'	1822	1716	256.89
5	A'	1400	1319	102.34
6	A'	1206	1137	367.98
7	A'	837	789	26.96
8	A'	634	597	39.69
9	A'	590	556	3.55
10	A'	531	500	28.57
11	A'	189	178	4.01
12	A"	772	727	74.25
13	A"	644	607	60.88
14	A"	597	562	63.98
15	A"	253	238	3.81

Atom	x (Å)	y (Å)
C1	0.000	0.491
C2	-0.220	-0.939
C3	-0.478	-2.130
O4	1.322	0.782
O5	-0.884	1.329
H6	-0.689	-3.176
H7	1.375	1.762

	C1	C2	C3	O4	O5	H6	H7
C1		1.4471	2.6644	1.3534	1.2179	3.7316	1.8724
C2	1.4471		1.2185	2.3112	2.3631	2.2858	3.1369
C3	2.6644	1.2185		3.4237	3.4827	1.0673	4.3105
O4	1.3534	2.3112	3.4237		2.2724	4.4402	0.9807
O5	1.2179	2.3631	3.4827	2.2724		4.5092	2.3005
H6	3.7316	2.2858	1.0673	4.4402	4.5092		5.3522
H7	1.8724	3.1369	4.3105	0.9807	2.3005	5.3522

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	176.553	C1	O4	H7	105.565
C2	C1	O4	111.186	C2	C1	O5	124.701
C2	C3	H6	179.230	O4	C1	O5	124.114

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)