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	hartrees
Energy at 0K	-265.312388
Energy at 298.15K
HF Energy	-264.521967
Nuclear repulsion energy	144.195280

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3771	3575	96.92
2	A'	3511	3328	58.09
3	A'	2167	2054	60.96
4	A'	1789	1696	305.60
5	A'	1369	1298	85.94
6	A'	1188	1126	398.48
7	A'	831	787	26.99
8	A'	670	635	35.99
9	A'	595	564	4.34
10	A'	535	507	21.73
11	A'	179	169	5.24
12	A"	744	705	78.82
13	A"	585	555	20.87
14	A"	506	480	85.31
15	A"	150i	142i	0.15

Atom	x (Å)	y (Å)
C1	0.000	0.492
C2	-0.237	-0.935
C3	-0.486	-2.122
O4	1.324	0.767
O5	-0.868	1.335
H6	-0.702	-3.163
H7	1.396	1.736

	C1	C2	C3	O4	O5	H6	H7
C1		1.4466	2.6591	1.3519	1.2100	3.7216	1.8696
C2	1.4466		1.2130	2.3093	2.3558	2.2757	3.1304
C3	2.6591	1.2130		3.4089	3.4782	1.0627	4.2922
O4	1.3519	2.3093	3.4089		2.2644	4.4208	0.9712
O5	1.2100	2.3558	3.4782	2.2644		4.5007	2.2998
H6	3.7216	2.2757	1.0627	4.4208	4.5007		5.3285
H7	1.8696	3.1304	4.2922	0.9712	2.2998	5.3285

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	177.639	C1	O4	H7	106.012
C2	C1	O4	111.170	C2	C1	O5	124.697
C2	C3	H6	179.924	O4	C1	O5	124.133

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

using model chemistry: MP2/TZVP

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/TZVP

States and conformations

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