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	hartrees
Energy at 0K	-263.475335
Energy at 298.15K	-263.476989
HF Energy	-262.943144
Nuclear repulsion energy	141.992331

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3498	3362	28.41
2	A'	3432	3298	33.28
3	A'	2192	2106	55.50
4	A'	1731	1663	188.84
5	A'	1401	1346	36.41
6	A'	1112	1069	379.57
7	A'	785	755	26.69
8	A'	709	681	33.71
9	A'	608	584	10.89
10	A'	514	494	24.94
11	A'	186	179	4.39
12	A"	780	749	28.09
13	A"	724	696	57.26
14	A"	606	583	137.29
15	A"	261	251	10.39

Atom	x (Å)	y (Å)
C1	0.000	0.489
C2	-0.246	-0.949
C3	-0.553	-2.126
O4	1.366	0.741
O5	-0.853	1.379
H6	-0.802	-3.166
H7	1.494	1.728

	C1	C2	C3	O4	O5	H6	H7
C1		1.4597	2.6733	1.3890	1.2327	3.7418	1.9410
C2	1.4597		1.2160	2.3358	2.4063	2.2847	3.1938
C3	2.6733	1.2160		3.4498	3.5182	1.0687	4.3644
O4	1.3890	2.3358	3.4498		2.3092	4.4673	0.9960
O5	1.2327	2.4063	3.5182	2.3092		4.5450	2.3731
H6	3.7418	2.2847	1.0687	4.4673	4.5450		5.4057
H7	1.9410	3.1938	4.3644	0.9960	2.3731	5.4057

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	175.121	C1	O4	H7	107.811
C2	C1	O4	110.141	C2	C1	O5	126.487
C2	C3	H6	178.862	O4	C1	O5	123.372

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

using model chemistry: QCISD/3-21G*

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: QCISD/3-21G*

States and conformations

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