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	hartrees
Energy at 0K	-265.202733
Energy at 298.15K	-265.204431
HF Energy	-264.452755
Nuclear repulsion energy	143.773391

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3821	3655	89.62
2	A'	3484	3333	49.52
3	A'	2237	2141	63.56
4	A'	1900	1818	331.10
5	A'	1414	1353	102.70
6	A'	1241	1187	361.70
7	A'	839	802	36.99
8	A'	687	657	31.03
9	A'	594	569	7.03
10	A'	539	516	22.55
11	A'	188	179	4.34
12	A"	790	756	62.52
13	A"	709	679	15.87
14	A"	598	572	89.46
15	A"	259	248	6.85

Atom	x (Å)	y (Å)
C1	0.000	0.505
C2	-0.229	-0.948
C3	-0.471	-2.143
O4	1.316	0.791
O5	-0.877	1.329
H6	-0.680	-3.201
H7	1.370	1.760

	C1	C2	C3	O4	O5	H6	H7
C1		1.4704	2.6895	1.3462	1.2032	3.7672	1.8579
C2	1.4704		1.2197	2.3255	2.3669	2.2975	3.1445
C3	2.6895	1.2197		3.4350	3.4957	1.0778	4.3154
O4	1.3462	2.3255	3.4350		2.2573	4.4623	0.9708
O5	1.2032	2.3669	3.4957	2.2573		4.5337	2.2874
H6	3.7672	2.2975	1.0778	4.4623	4.5337		5.3673
H7	1.8579	3.1445	4.3154	0.9708	2.2874	5.3673

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	177.531	C1	O4	H7	105.466
C2	C1	O4	111.228	C2	C1	O5	124.264
C2	C3	H6	179.744	O4	C1	O5	124.508

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

using model chemistry: CCD/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: CCD/cc-pVDZ

States and conformations

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