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	hartrees
Energy at 0K	-264.841851
Energy at 298.15K	-264.843485
HF Energy	-264.301762
Nuclear repulsion energy	141.348287

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3603	3472	51.35
2	A'	3432	3307	31.82
3	A'	2178	2098	75.61
4	A'	1688	1626	246.50
5	A'	1382	1331	50.29
6	A'	1139	1098	390.98
7	A'	802	773	14.07
8	A'	707	682	44.94
9	A'	613	590	11.48
10	A'	518	499	30.63
11	A'	203	196	4.37
12	A"	741	714	62.38
13	A"	671	647	33.92
14	A"	615	592	164.45
15	A"	242	234	6.33

Atom	x (Å)	y (Å)
C1	0.000	0.484
C2	-0.260	-0.949
C3	-0.525	-2.146
O4	1.364	0.762
O5	-0.868	1.378
H6	-0.759	-3.195
H7	1.501	1.737

	C1	C2	C3	O4	O5	H6	H7
C1		1.4568	2.6826	1.3922	1.2459	3.7564	1.9547
C2	1.4568		1.2263	2.3594	2.4051	2.3003	3.2115
C3	2.6826	1.2263		3.4683	3.5410	1.0740	4.3798
O4	1.3922	2.3594	3.4683		2.3157	4.4903	0.9840
O5	1.2459	2.4051	3.5410	2.3157		4.5739	2.3960
H6	3.7564	2.3003	1.0740	4.4903	4.5739		5.4243
H7	1.9547	3.2115	4.3798	0.9840	2.3960	5.4243

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	177.809	C1	O4	H7	109.488
C2	C1	O4	111.796	C2	C1	O5	125.541
C2	C3	H6	179.916	O4	C1	O5	122.662

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)