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	hartrees
Energy at 0K	-265.174043
Energy at 298.15K	-265.175724
HF Energy	-264.427690
Nuclear repulsion energy	144.468616

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3765	3532	90.69
2	A'	3532	3314	43.86
3	A'	2307	2165	75.47
4	A'	1916	1798	338.02
5	A'	1435	1347	107.56
6	A'	1251	1174	377.80
7	A'	854	801	33.34
8	A'	661	620	43.48
9	A'	612	574	5.56
10	A'	544	510	28.94
11	A'	197	185	4.19
12	A"	788	739	79.79
13	A"	659	618	4.16
14	A"	625	587	124.22
15	A"	260	244	5.05

Atom	x (Å)	y (Å)
C1	0.000	0.490
C2	-0.236	-0.942
C3	-0.470	-2.122
O4	1.313	0.784
O5	-0.871	1.323
H6	-0.675	-3.169
H7	1.372	1.758

	C1	C2	C3	O4	O5	H6	H7
C1		1.4511	2.6535	1.3459	1.2056	3.7204	1.8681
C2	1.4511		1.2028	2.3193	2.3525	2.2698	3.1423
C3	2.6535	1.2028		3.4094	3.4682	1.0670	4.2946
O4	1.3459	2.3193	3.4094		2.2501	4.4250	0.9756
O5	1.2056	2.3525	3.4682	2.2501		4.4961	2.2847
H6	3.7204	2.2698	1.0670	4.4250	4.4961		5.3352
H7	1.8681	3.1423	4.2946	0.9756	2.2847	5.3352

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	178.130	C1	O4	H7	106.065
C2	C1	O4	111.983	C2	C1	O5	124.371
C2	C3	H6	179.891	O4	C1	O5	123.646

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

using model chemistry: MP3=FULL/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: MP3=FULL/6-31G*

States and conformations

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