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	hartrees
Energy at 0K	-265.795108
Energy at 298.15K	-265.796882
HF Energy	-265.795108
Nuclear repulsion energy	144.641176

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3825	3635	109.64
2	A'	3488	3315	55.08
3	A'	2291	2178	80.51
4	A'	1892	1798	366.50
5	A'	1405	1336	148.18
6	A'	1226	1166	337.91
7	A'	846	804	38.43
8	A'	714	679	40.79
9	A'	613	583	5.47
10	A'	541	515	27.84
11	A'	200	190	4.84
12	A"	790	751	76.60
13	A"	752	715	19.37
14	A"	623	592	96.81
15	A"	274	261	6.95

Atom	x (Å)	y (Å)
C1	0.000	0.495
C2	-0.234	-0.942
C3	-0.469	-2.122
O4	1.310	0.781
O5	-0.871	1.325
H6	-0.680	-3.169
H7	1.381	1.748

	C1	C2	C3	O4	O5	H6	H7
C1		1.4562	2.6589	1.3410	1.2028	3.7261	1.8650
C2	1.4562		1.2030	2.3136	2.3548	2.2705	3.1381
C3	2.6589	1.2030		3.4046	3.4703	1.0674	4.2898
O4	1.3410	2.3136	3.4046		2.2479	4.4223	0.9702
O5	1.2028	2.3548	3.4703	2.2479		4.4973	2.2914
H6	3.7261	2.2705	1.0674	4.4223	4.4973		5.3313
H7	1.8650	3.1381	4.2898	0.9702	2.2914	5.3313

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	177.989	C1	O4	H7	106.494
C2	C1	O4	111.545	C2	C1	O5	124.370
C2	C3	H6	179.836	O4	C1	O5	124.085

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

using model chemistry: M06-2X/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	0.490
2	C	0.307
3	C	-0.441
4	O	-0.497
5	O	-0.436
6	H	0.220
7	H	0.357

	x	y	z	Total
	1.215	-1.048	0.000	1.605
CHELPG
AIM
ESP

	x	y	z
x	3.918	0.638	0.000
y	0.638	7.776	0.000
z	0.000	0.000	2.183

<r²>	105.463
(<r²>)^1/2	10.270

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

using model chemistry: M06-2X/6-31G**

States and conformations

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