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	hartrees
Energy at 0K	-265.924571
Energy at 298.15K	-265.926216
HF Energy	-265.924571
Nuclear repulsion energy	144.462883

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3711	3581	70.12
2	A'	3494	3372	49.65
3	A'	2222	2144	64.12
4	A'	1794	1731	292.59
5	A'	1363	1316	82.01
6	A'	1165	1124	348.52
7	A'	822	793	23.80
8	A'	665	641	38.83
9	A'	591	570	3.22
10	A'	518	500	28.56
11	A'	192	185	4.61
12	A"	777	750	62.63
13	A"	713	688	10.50
14	A"	615	593	77.25
15	A"	249	240	6.33

Atom	x (Å)	y (Å)
C1	0.000	0.485
C2	-0.200	-0.944
C3	-0.450	-2.121
O4	1.312	0.804
O5	-0.894	1.301
H6	-0.784	-3.131
H7	1.337	1.777

	C1	C2	C3	O4	O5	H6	H7
C1		1.4427	2.6447	1.3507	1.2104	3.7002	1.8598
C2	1.4427		1.2036	2.3113	2.3494	2.2640	3.1253
C3	2.6447	1.2036		3.4151	3.4505	1.0639	4.2886
O4	1.3507	2.3113	3.4151		2.2619	4.4589	0.9735
O5	1.2104	2.3494	3.4505	2.2619		4.4332	2.2819
H6	3.7002	2.2640	1.0639	4.4589	4.4332		5.3473
H7	1.8598	3.1253	4.2886	0.9735	2.2819	5.3473

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	175.971	C1	O4	H7	105.135
C2	C1	O4	111.630	C2	C1	O5	124.409
C2	C3	H6	173.690	O4	C1	O5	123.961

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

using model chemistry: TPSSh/6-31G(2df,p)

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: TPSSh/6-31G(2df,p)

States and conformations

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