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	hartrees
Energy at 0K	-265.159608
Energy at 298.15K	-265.161236
HF Energy	-264.426694
Nuclear repulsion energy	144.097818

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3733	3533	84.17
2	A'	3500	3313	41.43
3	A'	2268	2147	69.84
4	A'	1898	1797	322.52
5	A'	1427	1350	98.33
6	A'	1242	1175	378.23
7	A'	845	800	33.23
8	A'	650	615	41.40
9	A'	604	572	5.25
10	A'	539	510	27.47
11	A'	193	183	4.00
12	A"	778	736	81.15
13	A"	643	608	1.25
14	A"	620	586	123.55
15	A"	250	236	4.44

Atom	x (Å)	y (Å)
C1	0.000	0.496
C2	-0.234	-0.943
C3	-0.479	-2.127
O4	1.319	0.778
O5	-0.872	1.331
H6	-0.687	-3.176
H7	1.389	1.752

	C1	C2	C3	O4	O5	H6	H7
C1		1.4574	2.6657	1.3489	1.2075	3.7351	1.8732
C2	1.4574		1.2089	2.3180	2.3616	2.2783	3.1462
C3	2.6657	1.2089		3.4161	3.4799	1.0694	4.3054
O4	1.3489	2.3180	3.4161		2.2598	4.4335	0.9769
O5	1.2075	2.3616	3.4799	2.2598		4.5103	2.3000
H6	3.7351	2.2783	1.0694	4.4335	4.5103		5.3475
H7	1.8732	3.1462	4.3054	0.9769	2.3000	5.3475

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	177.557	C1	O4	H7	106.186
C2	C1	O4	111.320	C2	C1	O5	124.524
C2	C3	H6	179.553	O4	C1	O5	124.157

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

using model chemistry: CCD/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: CCD/6-31G*

States and conformations

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