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	hartrees
Energy at 0K	-265.361293
Energy at 298.15K	-265.362896
HF Energy	-264.488971
Nuclear repulsion energy	144.231932

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3764	3565	80.97
2	A'	3489	3304	51.17
3	A'	2157	2043	65.28
4	A'	1819	1723	288.65
5	A'	1395	1321	76.58
6	A'	1216	1152	400.26
7	A'	835	791	31.69
8	A'	643	609	39.09
9	A'	594	563	2.47
10	A'	539	511	27.02
11	A'	188	178	4.96
12	A"	785	743	76.21
13	A"	634	601	0.53
14	A"	587	556	126.75
15	A"	251	237	5.55

Atom	x (Å)	y (Å)
C1	0.000	0.495
C2	-0.228	-0.937
C3	-0.474	-2.129
O4	1.315	0.780
O5	-0.877	1.327
H6	-0.687	-3.173
H7	1.391	1.745

	C1	C2	C3	O4	O5	H6	H7
C1		1.4506	2.6669	1.3453	1.2081	3.7324	1.8702
C2	1.4506		1.2169	2.3085	2.3549	2.2827	3.1333
C3	2.6669	1.2169		3.4149	3.4792	1.0657	4.2998
O4	1.3453	2.3085	3.4149		2.2586	4.4313	0.9683
O5	1.2081	2.3549	3.4792	2.2586		4.5038	2.3060
H6	3.7324	2.2827	1.0657	4.4313	4.5038		5.3396
H7	1.8702	3.1333	4.2998	0.9683	2.3060	5.3396

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	177.404	C1	O4	H7	106.728
C2	C1	O4	111.259	C2	C1	O5	124.434
C2	C3	H6	179.920	O4	C1	O5	124.308

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

using model chemistry: MP2=FULL/6-311G*

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/6-311G*

States and conformations

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