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	hartrees
Energy at 0K	-264.397805
Energy at 298.15K	-264.399547
HF Energy	-264.397805
Nuclear repulsion energy	143.264284

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3498	3427	62.03
2	A'	3428	3359	59.42
3	A'	2214	2169	78.33
4	A'	1704	1670	228.92
5	A'	1358	1330	114.52
6	A'	1106	1084	311.74
7	A'	832	816	12.18
8	A'	704	689	52.22
9	A'	611	599	15.52
10	A'	512	502	37.69
11	A'	201	197	6.29
12	A"	784	768	12.21
13	A"	726	711	95.19
14	A"	641	628	127.34
15	A"	286	281	11.59

Atom	x (Å)	y (Å)
C1	0.000	0.470
C2	-0.224	-0.934
C3	-0.487	-2.123
O4	1.331	0.779
O5	-0.885	1.336
H6	-0.725	-3.171
H7	1.428	1.769

	C1	C2	C3	O4	O5	H6	H7
C1		1.4218	2.6382	1.3658	1.2379	3.7134	1.9297
C2	1.4218		1.2176	2.3128	2.3637	2.2933	3.1671
C3	2.6382	1.2176		3.4237	3.4810	1.0756	4.3368
O4	1.3658	2.3128	3.4237		2.2847	4.4532	0.9946
O5	1.2379	2.3637	3.4810	2.2847		4.5100	2.3531
H6	3.7134	2.2933	1.0756	4.4532	4.5100		5.3889
H7	1.9297	3.1671	4.3368	0.9946	2.3531	5.3889

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	176.576	C1	O4	H7	108.657
C2	C1	O4	112.113	C2	C1	O5	125.287
C2	C3	H6	179.691	O4	C1	O5	122.600

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

using model chemistry: LSDA/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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Number	Element	Mulliken
1	C	0.243
2	C	0.263
3	C	-0.406
4	O	-0.486
5	O	-0.311
6	H	0.286
7	H	0.413

	x	y	z	Total
	1.116	-1.181	0.000	1.625
CHELPG
AIM
ESP

	x	y	z
x	4.124	0.862	0.000
y	0.862	8.454	0.000
z	0.000	0.000	1.861

<r²>	106.579
(<r²>)^1/2	10.324

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

using model chemistry: LSDA/6-31G

States and conformations

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