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	hartrees
Energy at 0K	-265.211230
Energy at 298.15K	-265.212897
HF Energy	-264.451957
Nuclear repulsion energy	143.590734

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3793	3593	87.05
2	A'	3476	3293	47.84
3	A'	2214	2097	69.02
4	A'	1869	1771	324.83
5	A'	1408	1334	96.31
6	A'	1231	1166	354.26
7	A'	834	790	35.82
8	A'	666	631	32.52
9	A'	590	559	6.21
10	A'	535	507	23.26
11	A'	187	177	4.19
12	A"	785	743	65.98
13	A"	707	669	11.73
14	A"	596	565	86.16
15	A"	253	240	7.00

Atom	x (Å)	y (Å)
C1	0.000	0.504
C2	-0.222	-0.949
C3	-0.469	-2.146
O4	1.316	0.797
O5	-0.883	1.326
H6	-0.676	-3.204
H7	1.361	1.768

	C1	C2	C3	O4	O5	H6	H7
C1		1.4696	2.6908	1.3480	1.2066	3.7688	1.8575
C2	1.4696		1.2221	2.3265	2.3688	2.3002	3.1445
C3	2.6908	1.2221		3.4413	3.4965	1.0781	4.3203
O4	1.3480	2.3265	3.4413		2.2618	4.4688	0.9722
O5	1.2066	2.3688	3.4965	2.2618		4.5346	2.2875
H6	3.7688	2.3002	1.0781	4.4688	4.5346		5.3728
H7	1.8575	3.1445	4.3203	0.9722	2.2875	5.3728

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	177.083	C1	O4	H7	105.220
C2	C1	O4	111.249	C2	C1	O5	124.245
C2	C3	H6	179.451	O4	C1	O5	124.506

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

using model chemistry: CCSD/cc-pVDZ

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/cc-pVDZ

States and conformations

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