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	hartrees
Energy at 0K	-265.311372
Energy at 298.15K	-265.312683
HF Energy	-264.525160
Nuclear repulsion energy	144.766453

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3842	3642	86.81
2	A'	3511	3328	47.00
3	A'	2259	2142	64.68
4	A'	1877	1779	375.19
5	A'	1404	1331	81.15
6	A'	1228	1164	405.06
7	A'	842	798	34.45
8	A'	697	660	35.99
9	A'	611	579	6.54
10	A'	546	517	21.35
11	A'	188	178	5.33
12	A"	763	724	83.37
13	A"	614	582	0.60
14	A"	544	515	107.63
15	A"	62	58	1.75

Atom	x (Å)	y (Å)
C1	0.000	0.496
C2	-0.249	-0.938
C3	-0.484	-2.117
O4	1.318	0.765
O5	-0.857	1.334
H6	-0.695	-3.158
H7	1.406	1.727

	C1	C2	C3	O4	O5	H6	H7
C1		1.4557	2.6572	1.3447	1.1979	3.7201	1.8684
C2	1.4557		1.2017	2.3138	2.3516	2.2647	3.1369
C3	2.6572	1.2017		3.3983	3.4702	1.0629	4.2830
O4	1.3447	2.3138	3.3983		2.2474	4.4093	0.9661
O5	1.1979	2.3516	3.4702	2.2474		4.4949	2.2964
H6	3.7201	2.2647	1.0629	4.4093	4.4949		5.3178
H7	1.8684	3.1369	4.2830	0.9661	2.2964	5.3178

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	178.549	C1	O4	H7	106.762
C2	C1	O4	111.365	C2	C1	O5	124.510
C2	C3	H6	179.848	O4	C1	O5	124.125

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

using model chemistry: CCD/TZVP

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

using model chemistry: CCD/TZVP

States and conformations

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