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	hartrees
Energy at 0K	-265.763840
Energy at 298.15K	-265.765453
HF Energy	-265.763840
Nuclear repulsion energy	141.478953

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3436	3410	30.21
2	A'	3426	3400	44.16
3	A'	2165	2149	71.88
4	A'	1626	1614	222.78
5	A'	1306	1296	47.31
6	A'	1071	1063	377.25
7	A'	788	782	5.57
8	A'	662	657	49.62
9	A'	598	594	6.22
10	A'	497	493	30.00
11	A'	196	194	4.54
12	A"	738	733	29.61
13	A"	697	692	50.50
14	A"	612	607	130.23
15	A"	276	274	7.97

Atom	x (Å)	y (Å)
C1	0.000	0.474
C2	-0.246	-0.943
C3	-0.530	-2.132
O4	1.371	0.762
O5	-0.876	1.367
H6	-0.783	-3.174
H7	1.479	1.752

	C1	C2	C3	O4	O5	H6	H7
C1		1.4388	2.6603	1.4010	1.2508	3.7316	1.9545
C2	1.4388		1.2229	2.3496	2.3947	2.2947	3.1998
C3	2.6603	1.2229		3.4629	3.5165	1.0718	4.3734
O4	1.4010	2.3496	3.4629		2.3277	4.4867	0.9961
O5	1.2508	2.3947	3.5165	2.3277		4.5420	2.3869
H6	3.7316	2.2947	1.0718	4.4867	4.5420		5.4206
H7	1.9545	3.1998	4.3734	0.9961	2.3869	5.4206

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	176.367	C1	O4	H7	108.057
C2	C1	O4	111.654	C2	C1	O5	125.696
C2	C3	H6	179.820	O4	C1	O5	122.650

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

using model chemistry: BLYP/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	0.294
2	C	0.276
3	C	-0.358
4	O	-0.479
5	O	-0.333
6	H	0.224
7	H	0.376

	x	y	z	Total
	0.959	-1.268	0.000	1.590
CHELPG
AIM
ESP

	x	y	z
x	4.265	0.980	0.000
y	0.980	8.633	0.000
z	0.000	0.000	1.846

<r²>	108.834
(<r²>)^1/2	10.432

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

using model chemistry: BLYP/6-31G

States and conformations

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