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	hartrees
Energy at 0K	-265.187956
Energy at 298.15K	-265.189594
HF Energy	-264.426290
Nuclear repulsion energy	144.055744

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3708	3522	81.85
2	A'	3494	3319	39.34
3	A'	2250	2137	76.17
4	A'	1874	1780	317.83
5	A'	1422	1351	93.67
6	A'	1234	1172	369.12
7	A'	843	800	32.21
8	A'	638	606	42.69
9	A'	603	572	4.08
10	A'	538	511	28.45
11	A'	195	186	3.93
12	A"	781	742	80.81
13	A"	652	620	0.84
14	A"	624	593	118.90
15	A"	256	243	5.14

Atom	x (Å)	y (Å)
C1	0.000	0.495
C2	-0.232	-0.942
C3	-0.478	-2.127
O4	1.319	0.778
O5	-0.874	1.331
H6	-0.686	-3.176
H7	1.386	1.754

	C1	C2	C3	O4	O5	H6	H7
C1		1.4551	2.6644	1.3494	1.2096	3.7337	1.8726
C2	1.4551		1.2100	2.3161	2.3615	2.2793	3.1440
C3	2.6644	1.2100		3.4155	3.4801	1.0693	4.3048
O4	1.3494	2.3161	3.4155		2.2621	4.4328	0.9783
O5	1.2096	2.3615	3.4801	2.2621		4.5103	2.2993
H6	3.7337	2.2793	1.0693	4.4328	4.5103		5.3470
H7	1.8726	3.1440	4.3048	0.9783	2.2993	5.3470

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	177.478	C1	O4	H7	106.022
C2	C1	O4	111.300	C2	C1	O5	124.543
C2	C3	H6	179.511	O4	C1	O5	124.157

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

using model chemistry: CCSD=FULL/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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All results from a given calculation for C3H2O2 (Propiolic acid)

using model chemistry: CCSD=FULL/6-31G*

States and conformations

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