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	hartrees
Energy at 0K	-261.254422
Energy at 298.15K	-261.255722
HF Energy	-260.933358
Nuclear repulsion energy	139.282187

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3849	3421	20.15
2	A'	3725	3311	99.57
3	A'	2242	1993	56.14
4	A'	1794	1595	50.72
5	A'	1531	1361	35.23
6	A'	1253	1114	203.60
7	A'	805	715	27.02
8	A'	765	680	10.05
9	A'	586	521	1.26
10	A'	479	425	18.92
11	A'	179	159	1.43
12	A"	744	662	16.40
13	A"	681	605	9.45
14	A"	615	547	65.22
15	A"	255	227	2.26

Atom	x (Å)	y (Å)
C1	0.000	0.502
C2	-0.282	-0.976
C3	-0.556	-2.169
O4	1.397	0.733
O5	-0.849	1.434
H6	-0.790	-3.226
H7	1.432	1.752

	C1	C2	C3	O4	O5	H6	H7
C1		1.5044	2.7284	1.4161	1.2609	3.8103	1.9011
C2	1.5044		1.2244	2.3958	2.4758	2.3064	3.2219
C3	2.7284	1.2244		3.4981	3.6154	1.0820	4.3965
O4	1.4161	2.3958	3.4981		2.3529	4.5225	1.0197
O5	1.2609	2.4758	3.6154	2.3529		4.6603	2.3032
H6	3.8103	2.3064	1.0820	4.5225	4.6603		5.4511
H7	1.9011	3.2219	4.3965	1.0197	2.3032	5.4511

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	177.901	C1	O4	H7	101.367
C2	C1	O4	110.200	C2	C1	O5	126.871
C2	C3	H6	179.569	O4	C1	O5	122.929

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

using model chemistry: MP2=FULL/STO-3G

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/STO-3G

States and conformations

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