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	hartrees
Energy at 0K	-265.297006
Energy at 298.15K	-265.298348
HF Energy	-264.465268
Nuclear repulsion energy	142.697601

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3727	3644
2	A'	3440	3363
3	A'	2145	2097
4	A'	1760	1721
5	A'	1358	1327
6	A'	1173	1147
7	A'	808	790
8	A'	596	583
9	A'	550	537
10	A'	511	499
11	A'	148	145
12	A"	745	728
13	A"	616	602
14	A"	590	577
15	A"	177	173

Atom	x (Å)	y (Å)
C1	0.000	0.500
C2	-0.220	-0.950
C3	-0.482	-2.153
O4	1.330	0.800
O5	-0.890	1.332
H6	-0.694	-3.210
H7	1.383	1.773

	C1	C2	C3	O4	O5	H6	H7
C1		1.4664	2.6957	1.3635	1.2185	3.7736	1.8798
C2	1.4664		1.2306	2.3379	2.3785	2.3086	3.1598
C3	2.6957	1.2306		3.4641	3.5087	1.0781	4.3458
O4	1.3635	2.3379	3.4641		2.2827	4.4913	0.9743
O5	1.2185	2.3785	3.5087	2.2827		4.5461	2.3150
H6	3.7736	2.3086	1.0781	4.4913	4.5461		5.3979
H7	1.8798	3.1598	4.3458	0.9743	2.3150	5.3979

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	176.370	C1	O4	H7	105.839
C2	C1	O4	111.359	C2	C1	O5	124.464
C2	C3	H6	179.072	O4	C1	O5	124.177

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

using model chemistry: QCISD(T)/aug-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: QCISD(T)/aug-cc-pVDZ

States and conformations

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