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	hartrees
Energy at 0K	-264.456939
Energy at 298.15K	-264.458951
HF Energy	-264.456939
Nuclear repulsion energy	146.072312

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	4079	3704	160.85
2	A'	3636	3301	53.24
3	A'	2414	2192	98.13
4	A'	2021	1835	528.38
5	A'	1496	1358	161.48
6	A'	1332	1209	397.12
7	A'	892	810	47.39
8	A'	814	740	39.81
9	A'	657	596	9.22
10	A'	580	526	28.78
11	A'	218	198	5.52
12	A"	877	797	7.51
13	A"	871	791	101.29
14	A"	633	574	100.65
15	A"	284	258	9.68

Atom	x (Å)	y (Å)
C1	0.000	0.499
C2	-0.234	-0.942
C3	-0.457	-2.112
O4	1.290	0.787
O5	-0.861	1.307
H6	-0.656	-3.158
H7	1.376	1.735

	C1	C2	C3	O4	O5	H6	H7
C1		1.4600	2.6504	1.3216	1.1815	3.7147	1.8498
C2	1.4600		1.1906	2.3051	2.3356	2.2549	3.1243
C3	2.6504	1.1906		3.3846	3.4433	1.0644	4.2613
O4	1.3216	2.3051	3.3846		2.2132	4.3984	0.9518
O5	1.1815	2.3356	3.4433	2.2132		4.4697	2.2779
H6	3.7147	2.2549	1.0644	4.3984	4.4697		5.2977
H7	1.8498	3.1243	4.2613	0.9518	2.2779	5.2977

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	178.449	C1	O4	H7	107.806
C2	C1	O4	111.833	C2	C1	O5	123.963
C2	C3	H6	179.996	O4	C1	O5	124.204

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

using model chemistry: HF/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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Number	Element	Mulliken
1	C	0.229
2	C	0.300
3	C	-0.210
4	O	-0.243
5	O	-0.316
6	H	0.065
7	H	0.175

	x	y	z	Total
	1.350	-1.164	0.000	1.782
CHELPG
AIM
ESP

	x	y	z
x	3.723	0.514	0.000
y	0.514	7.351	0.000
z	0.000	0.000	2.312

<r²>	104.480
(<r²>)^1/2	10.222

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

using model chemistry: HF/cc-pVDZ

States and conformations

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