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	hartrees
Energy at 0K	-265.546173
Energy at 298.15K	-265.540504
HF Energy	-264.426362
Nuclear repulsion energy	146.252749

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	4057	4057	128.69
2	A'	3649	3649	42.57
3	A'	2426	2426	103.95
4	A'	2026	2026	534.70
5	A'	1499	1499	133.41
6	A'	1340	1340	439.03
7	A'	892	892	48.09
8	A'	802	802	43.84
9	A'	663	663	7.78
10	A'	580	580	31.97
11	A'	221	221	5.04
12	A"	874	874	104.08
13	A"	859	859	24.28
14	A"	662	662	121.24
15	A"	286	286	8.48

Atom	x (Å)	y (Å)
C1	0.000	0.488
C2	-0.250	-0.941
C3	-0.471	-2.102
O4	1.290	0.778
O5	-0.839	1.316
H6	-0.659	-3.145
H7	1.380	1.723

	C1	C2	C3	O4	O5	H6	H7
C1		1.4505	2.6320	1.3227	1.1794	3.6918	1.8521
C2	1.4505		1.1816	2.3087	2.3329	2.2414	3.1235
C3	2.6320	1.1816		3.3762	3.4379	1.0597	4.2495
O4	1.3227	2.3087	3.3762		2.1966	4.3809	0.9494
O5	1.1794	2.3329	3.4379	2.1966		4.4646	2.2559
H6	3.6918	2.2414	1.0597	4.3809	4.4646		5.2780
H7	1.8521	3.1235	4.2495	0.9494	2.2559	5.2780

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	179.165	C1	O4	H7	108.083
C2	C1	O4	112.632	C2	C1	O5	124.693
C2	C3	H6	179.463	O4	C1	O5	122.675

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

using model chemistry: CBS-Q

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: CBS-Q

States and conformations

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