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	hartrees
Energy at 0K	-265.807649
Energy at 298.15K	-265.809413
HF Energy	-265.807649
Nuclear repulsion energy	144.546087

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3820	3638	126.53
2	A'	3479	3313	59.42
3	A'	2282	2172	79.87
4	A'	1866	1777	436.75
5	A'	1386	1320	165.77
6	A'	1217	1159	341.81
7	A'	843	803	37.00
8	A'	715	681	46.95
9	A'	610	581	7.19
10	A'	539	514	26.59
11	A'	196	186	6.46
12	A"	790	753	65.96
13	A"	762	725	34.87
14	A"	611	582	101.49
15	A"	273	260	8.84

Atom	x (Å)	y (Å)
C1	0.000	0.494
C2	-0.230	-0.944
C3	-0.466	-2.125
O4	1.309	0.787
O5	-0.875	1.320
H6	-0.678	-3.172
H7	1.387	1.755

	C1	C2	C3	O4	O5	H6	H7
C1		1.4556	2.6594	1.3415	1.2041	3.7275	1.8743
C2	1.4556		1.2044	2.3162	2.3542	2.2726	3.1455
C3	2.6594	1.2044		3.4102	3.4693	1.0682	4.2989
O4	1.3415	2.3162	3.4102		2.2485	4.4295	0.9704
O5	1.2041	2.3542	3.4693	2.2485		4.4963	2.3035
H6	3.7275	2.2726	1.0682	4.4295	4.4963		5.3414
H7	1.8743	3.1455	4.2989	0.9704	2.3035	5.3414

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	177.805	C1	O4	H7	107.239
C2	C1	O4	111.740	C2	C1	O5	124.263
C2	C3	H6	179.845	O4	C1	O5	123.997

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

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

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	0.357
2	C	0.284
3	C	-0.446
4	O	-0.439
5	O	-0.402
6	H	0.255
7	H	0.392

	x	y	z	Total
	1.239	-1.173	0.000	1.706
CHELPG
AIM
ESP

	x	y	z
x	4.944	0.475	0.000
y	0.475	8.560	0.000
z	0.000	0.000	3.201

<r²>	106.146
(<r²>)^1/2	10.303

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

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

States and conformations

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