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	hartrees
Energy at 0K	-265.221812
Energy at 298.15K	-265.223490
HF Energy	-264.452234
Nuclear repulsion energy	143.684268

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3796	3796	87.39
2	A'	3482	3482	48.02
3	A'	2217	2217	69.09
4	A'	1872	1872	325.22
5	A'	1410	1410	96.66
6	A'	1232	1232	353.35
7	A'	836	836	35.54
8	A'	668	668	32.51
9	A'	591	591	5.93
10	A'	537	537	23.61
11	A'	188	188	4.20
12	A"	787	787	65.39
13	A"	709	709	12.49
14	A"	597	597	86.04
15	A"	256	256	7.05

Atom	x (Å)	y (Å)
C1	0.000	0.504
C2	-0.227	-0.947
C3	-0.470	-2.144
O4	1.316	0.791
O5	-0.880	1.329
H6	-0.679	-3.201
H7	1.366	1.762

	C1	C2	C3	O4	O5	H6	H7
C1		1.4681	2.6887	1.3473	1.2061	3.7659	1.8569
C2	1.4681		1.2212	2.3245	2.3674	2.2985	3.1423
C3	2.6887	1.2212		3.4356	3.4968	1.0774	4.3152
O4	1.3473	2.3245	3.4356		2.2607	4.4626	0.9718
O5	1.2061	2.3674	3.4968	2.2607		4.5340	2.2866
H6	3.7659	2.2985	1.0774	4.4626	4.5340		5.3670
H7	1.8569	3.1423	4.3152	0.9718	2.2866	5.3670

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	177.458	C1	O4	H7	105.244
C2	C1	O4	111.232	C2	C1	O5	124.275
C2	C3	H6	179.740	O4	C1	O5	124.493

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

using model chemistry: CCSD=FULL/cc-pVDZ

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: CCSD=FULL/cc-pVDZ

States and conformations

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