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	hartrees
Energy at 0K	-265.198357
Energy at 298.15K	-265.199831
HF Energy	-264.423746
Nuclear repulsion energy	143.419516

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3661	3512
2	A'	3468	3327
3	A'	2189	2100
4	A'	1821	1747
5	A'	1400	1343
6	A'	1206	1157
7	A'	827	793
8	A'	600	576
9	A'	572	549
10	A'	525	504
11	A'	184	177
12	A"	754	724
13	A"	627	602
14	A"	577	553
15	A"	227	218

Atom	x (Å)	y (Å)
C1	0.000	0.495
C2	-0.226	-0.944
C3	-0.480	-2.136
O4	1.325	0.784
O5	-0.882	1.333
H6	-0.690	-3.186
H7	1.381	1.764

	C1	C2	C3	O4	O5	H6	H7
C1		1.4567	2.6740	1.3567	1.2170	3.7452	1.8754
C2	1.4567		1.2183	2.3227	2.3697	2.2895	3.1490
C3	2.6740	1.2183		3.4327	3.4921	1.0713	4.3206
O4	1.3567	2.3227	3.4327		2.2751	4.4526	0.9812
O5	1.2170	2.3697	3.4921	2.2751		4.5233	2.3039
H6	3.7452	2.2895	1.0713	4.4526	4.5233		5.3657
H7	1.8754	3.1490	4.3206	0.9812	2.3039	5.3657

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	176.951	C1	O4	H7	105.548
C2	C1	O4	111.253	C2	C1	O5	124.586
C2	C3	H6	179.337	O4	C1	O5	124.161

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

using model chemistry: QCISD(T)/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: QCISD(T)/6-31G*

States and conformations

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