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	hartrees
Energy at 0K	-265.241681
Energy at 298.15K	-265.243244
HF Energy	-264.449563
Nuclear repulsion energy	143.067284

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3750	3574
2	A'	3455	3293
3	A'	2157	2056
4	A'	1818	1733
5	A'	1386	1321
6	A'	1203	1147
7	A'	819	781
8	A'	630	601
9	A'	570	544
10	A'	526	501
11	A'	179	170
12	A"	767	731
13	A"	667	635
14	A"	590	562
15	A"	242	230

Atom	x (Å)	y (Å)
C1	0.000	0.504
C2	-0.222	-0.949
C3	-0.470	-2.153
O4	1.322	0.797
O5	-0.888	1.331
H6	-0.680	-3.212
H7	1.359	1.772

	C1	C2	C3	O4	O5	H6	H7
C1		1.4697	2.6983	1.3541	1.2134	3.7777	1.8582
C2	1.4697		1.2294	2.3307	2.3751	2.3090	3.1462
C3	2.6983	1.2294		3.4518	3.5088	1.0796	4.3297
O4	1.3541	2.3307	3.4518		2.2736	4.4814	0.9750
O5	1.2134	2.3751	3.5088	2.2736		4.5475	2.2898
H6	3.7777	2.3090	1.0796	4.4814	4.5475		5.3845
H7	1.8582	3.1462	4.3297	0.9750	2.2898	5.3845

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	177.028	C1	O4	H7	104.672
C2	C1	O4	111.181	C2	C1	O5	124.275
C2	C3	H6	179.590	O4	C1	O5	124.544

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

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

States and conformations

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