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	hartrees
Energy at 0K	-265.172032
Energy at 298.15K	-265.173616
HF Energy	-264.425437
Nuclear repulsion energy	143.781418

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3701	3524	81.37
2	A'	3489	3323	39.02
3	A'	2233	2126	77.91
4	A'	1848	1760	311.06
5	A'	1415	1347	86.41
6	A'	1224	1166	370.91
7	A'	837	797	31.19
8	A'	626	596	42.60
9	A'	596	567	3.58
10	A'	533	508	28.66
11	A'	193	183	3.86
12	A"	770	733	86.95
13	A"	642	611	4.78
14	A"	615	585	108.01
15	A"	243	231	4.65

Atom	x (Å)	y (Å)
C1	0.000	0.495
C2	-0.231	-0.944
C3	-0.479	-2.131
O4	1.322	0.779
O5	-0.877	1.333
H6	-0.688	-3.180
H7	1.386	1.756

	C1	C2	C3	O4	O5	H6	H7
C1		1.4568	2.6686	1.3524	1.2129	3.7384	1.8739
C2	1.4568		1.2125	2.3197	2.3663	2.2824	3.1468
C3	2.6686	1.2125		3.4222	3.4862	1.0699	4.3108
O4	1.3524	2.3197	3.4222		2.2675	4.4403	0.9787
O5	1.2129	2.3663	3.4862	2.2675		4.5165	2.3019
H6	3.7384	2.2824	1.0699	4.4403	4.5165		5.3539
H7	1.8739	3.1468	4.3108	0.9787	2.3019	5.3539

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	177.331	C1	O4	H7	105.888
C2	C1	O4	111.275	C2	C1	O5	124.581
C2	C3	H6	179.505	O4	C1	O5	124.144

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

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

States and conformations

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