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	hartrees
Energy at 0K	-262.264373
Energy at 298.15K	-262.265425
HF Energy	-262.264373
Nuclear repulsion energy	138.183700

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3567	3301	116.37
2	A'	3465	3206	18.51
3	A'	2241	2073	77.44
4	A'	1717	1589	51.50
5	A'	1390	1286	14.23
6	A'	1119	1036	179.42
7	A'	757	701	18.97
8	A'	680	629	18.18
9	A'	547	506	0.30
10	A'	434	402	16.99
11	A'	164	152	2.64
12	A"	697	645	21.72
13	A"	638	591	41.55
14	A"	614	568	18.90
15	A"	231	214	4.41

Atom	x (Å)	y (Å)
C1	0.000	0.494
C2	-0.272	-0.975
C3	-0.595	-2.154
O4	1.435	0.719
O5	-0.858	1.436
H6	-0.876	-3.206
H7	1.463	1.768

	C1	C2	C3	O4	O5	H6	H7
C1		1.4943	2.7143	1.4524	1.2741	3.8030	1.9398
C2	1.4943		1.2223	2.4049	2.4814	2.3117	3.2457
C3	2.7143	1.2223		3.5178	3.5997	1.0893	4.4291
O4	1.4524	2.4049	3.5178		2.4024	4.5553	1.0491
O5	1.2741	2.4814	3.5997	2.4024		4.6425	2.3448
H6	3.8030	2.3117	1.0893	4.5553	4.6425		5.4969
H7	1.9398	3.2457	4.4291	1.0491	2.3448	5.4969

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	175.155	C1	O4	H7	100.454
C2	C1	O4	109.391	C2	C1	O5	127.180
C2	C3	H6	179.619	O4	C1	O5	123.429

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

using model chemistry: BLYP/STO-3G

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	0.176
2	C	-0.050
3	C	-0.101
4	O	-0.169
5	O	-0.173
6	H	0.124
7	H	0.192

	x	y	z	Total
	0.732	-0.145	0.000	0.746
CHELPG
AIM
ESP

	x	y	z
x	2.739	1.037	0.000
y	1.037	6.232	0.000
z	0.000	0.000	0.702

<r²>	111.564
(<r²>)^1/2	10.562

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

using model chemistry: BLYP/STO-3G

States and conformations

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