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	hartrees
Energy at 0K	-265.382426
Energy at 298.15K	-265.384094
HF Energy	-264.498686
Nuclear repulsion energy	144.231699

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3812	3616	97.96
2	A'	3508	3328	57.37
3	A'	2156	2045	61.55
4	A'	1819	1725	277.40
5	A'	1383	1312	99.38
6	A'	1201	1140	369.10
7	A'	834	791	31.29
8	A'	714	677	32.50
9	A'	594	564	4.53
10	A'	539	511	24.52
11	A'	190	180	4.97
12	A"	777	737	69.64
13	A"	705	669	9.36
14	A"	556	528	93.31
15	A"	254	241	6.05

Atom	x (Å)	y (Å)
C1	0.000	0.497
C2	-0.234	-0.936
C3	-0.473	-2.129
O4	1.318	0.775
O5	-0.874	1.330
H6	-0.687	-3.172
H7	1.377	1.741

	C1	C2	C3	O4	O5	H6	H7
C1		1.4517	2.6679	1.3471	1.2074	3.7325	1.8554
C2	1.4517		1.2166	2.3097	2.3544	2.2814	3.1237
C3	2.6679	1.2166		3.4115	3.4817	1.0648	4.2888
O4	1.3471	2.3097	3.4115		2.2614	4.4268	0.9675
O5	1.2074	2.3544	3.4817	2.2614		4.5055	2.2882
H6	3.7325	2.2814	1.0648	4.4268	4.5055		5.3283
H7	1.8554	3.1237	4.2888	0.9675	2.2882	5.3283

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	177.921	C1	O4	H7	105.388
C2	C1	O4	111.170	C2	C1	O5	124.351
C2	C3	H6	179.745	O4	C1	O5	124.479

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

using model chemistry: MP2=FULL/6-311G**

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: MP2=FULL/6-311G**

States and conformations

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