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	hartrees
Energy at 0K	-265.273615
Energy at 298.15K	-265.275112
HF Energy	-264.468422
Nuclear repulsion energy	143.413859

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3783	3783	89.64
2	A'	3472	3472	45.59
3	A'	2209	2209	71.06
4	A'	1817	1817	359.51
5	A'	1386	1386	73.80
6	A'	1208	1208	384.62
7	A'	827	827	26.55
8	A'	632	632	36.16
9	A'	579	579	6.14
10	A'	526	526	23.63
11	A'	161	161	4.43
12	A"	770	770	61.49
13	A"	654	654	6.32
14	A"	611	611	96.07
15	A"	196	196	5.48

Atom	x (Å)	y (Å)
C1	0.000	0.499
C2	-0.225	-0.948
C3	-0.477	-2.144
O4	1.321	0.796
O5	-0.882	1.328
H6	-0.686	-3.199
H7	1.383	1.764

	C1	C2	C3	O4	O5	H6	H7
C1		1.4651	2.6858	1.3543	1.2104	3.7609	1.8746
C2	1.4651		1.2217	2.3310	2.3695	2.2969	3.1536
C3	2.6858	1.2217		3.4462	3.4953	1.0753	4.3283
O4	1.3543	2.3310	3.4462		2.2671	4.4705	0.9703
O5	1.2104	2.3695	3.4953	2.2671		4.5307	2.3074
H6	3.7609	2.2969	1.0753	4.4705	4.5307		5.3770
H7	1.8746	3.1536	4.3283	0.9703	2.3074	5.3770

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	176.900	C1	O4	H7	106.313
C2	C1	O4	111.473	C2	C1	O5	124.382
C2	C3	H6	179.279	O4	C1	O5	124.145

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

using model chemistry: CCSD=FULL/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: CCSD=FULL/aug-cc-pVDZ

States and conformations

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