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	hartrees
Energy at 0K	-52.078623
Energy at 298.15K	-52.085771
HF Energy	-51.369348
Nuclear repulsion energy	98.602985

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3722	3533	61.62
2	A'	3201	3039	27.54
3	A'	3115	2958	11.26
4	A'	3102	2945	26.59
5	A'	1819	1727	250.75
6	A'	1527	1450	12.84
7	A'	1498	1422	12.00
8	A'	1460	1386	9.47
9	A'	1430	1358	58.53
10	A'	1319	1252	0.71
11	A'	1184	1124	247.19
12	A'	1112	1055	80.67
13	A'	1031	979	2.51
14	A'	831	789	5.16
15	A'	606	575	18.33
16	A'	463	440	23.03
17	A'	249	236	2.13
18	A"	3211	3049	32.71
19	A"	3177	3017	3.63
20	A"	1523	1446	7.37
21	A"	1308	1242	0.01
22	A"	1134	1077	0.02
23	A"	819	777	15.13
24	A"	663	630	116.64
25	A"	527	501	23.42
26	A"	224	213	0.00
27	A"	49	47	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.572	0.000
C2	-0.615	-0.824	0.000
C3	0.458	-1.930	0.000
O4	-0.977	1.542	0.000
O5	1.202	0.845	0.000
H6	-1.271	-0.892	0.885
H7	-1.271	-0.892	-0.885
H8	-0.026	-2.922	0.000
H9	1.102	-1.849	-0.891
H10	1.102	-1.849	0.891
H11	-0.492	2.398	0.000

	C1	C2	C3	O4	O5	H6	H7	H8	H9	H10	H11
C1		1.5259	2.5442	1.3763	1.2322	2.1316	2.1316	3.4949	2.8056	2.8056	1.8908
C2	1.5259		1.5409	2.3936	2.4669	1.1041	1.1041	2.1793	2.1893	2.1893	3.2244
C3	2.5442	1.5409		3.7569	2.8732	2.2026	2.2026	1.1039	1.1025	1.1025	4.4313
O4	1.3763	2.3936	3.7569		2.2873	2.6066	2.6066	4.5645	4.0761	4.0761	0.9836
O5	1.2322	2.4669	2.8732	2.2873		3.1489	3.1489	3.9624	2.8391	2.8391	2.2981
H6	2.1316	1.1041	2.2026	2.6066	3.1489		1.7707	2.5410	3.1152	2.5593	3.4948
H7	2.1316	1.1041	2.2026	2.6066	3.1489	1.7707		2.5410	2.5593	3.1152	3.4948
H8	3.4949	2.1793	1.1039	4.5645	3.9624	2.5410	2.5410		1.7943	1.7943	5.3408
H9	2.8056	2.1893	1.1025	4.0761	2.8391	3.1152	2.5593	1.7943		1.7814	4.6231
H10	2.8056	2.1893	1.1025	4.0761	2.8391	2.5593	3.1152	1.7943	1.7814		4.6231
H11	1.8908	3.2244	4.4313	0.9836	2.2981	3.4948	3.4948	5.3408	4.6231	4.6231

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	112.114	C1	C2	H6	107.202
C1	C2	H7	107.202	C1	O4	H11	105.276
C2	C1	O4	111.021	C2	C1	O5	126.548
C2	C3	H8	109.877	C2	C3	H9	110.738
C2	C3	H10	110.738	C3	C2	H6	111.697
C3	C2	H7	111.697	O4	C1	O5	122.431
H6	C2	H7	106.611	H8	C3	H9	108.824
H8	C3	H10	108.824	H9	C3	H10	107.777

All results from a given calculation for CH₃CH₂COOH (Propanoic Acid)

using model chemistry: MP2/CEP-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 CH3CH2COOH (Propanoic Acid)

using model chemistry: MP2/CEP-31G*

States and conformations

All results from a given calculation for CH₃CH₂COOH (Propanoic Acid)