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	hartrees
Energy at 0K	-267.748236
Energy at 298.15K	-267.755412
HF Energy	-266.887248
Nuclear repulsion energy	177.255453

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3788	3649	62.69
2	A'	3134	3019	22.78
3	A'	3061	2949	6.30
4	A'	3055	2943	24.93
5	A'	1829	1762	276.79
6	A'	1494	1440	11.41
7	A'	1463	1409	9.10
8	A'	1431	1379	32.33
9	A'	1409	1358	27.62
10	A'	1321	1273	0.28
11	A'	1184	1140	249.31
12	A'	1098	1058	57.64
13	A'	1019	981	1.17
14	A'	827	797	4.92
15	A'	612	590	20.87
16	A'	465	448	19.53
17	A'	250	241	2.57
18	A"	3141	3026	24.46
19	A"	3099	2986	3.37
20	A"	1487	1433	5.55
21	A"	1282	1235	0.02
22	A"	1112	1071	0.36
23	A"	808	778	10.60
24	A"	645	622	89.39
25	A"	524	505	21.53
26	A"	219	211	0.01
27	A"	53	51	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.573	0.000
C2	-0.605	-0.818	0.000
C3	0.456	-1.924	0.000
O4	-0.965	1.537	0.000
O5	1.185	0.839	0.000
H6	-1.266	-0.887	0.882
H7	-1.266	-0.887	-0.882
H8	-0.029	-2.914	0.000
H9	1.101	-1.848	-0.890
H10	1.101	-1.848	0.890
H11	-0.501	2.388	0.000

	C1	C2	C3	O4	O5	H6	H7	H8	H9	H10	H11
C1		1.5165	2.5378	1.3643	1.2140	2.1241	2.1241	3.4869	2.8047	2.8047	1.8833
C2	1.5165		1.5322	2.3821	2.4382	1.1044	1.1044	2.1736	2.1825	2.1825	3.2078
C3	2.5378	1.5322		3.7411	2.8566	2.1944	2.1944	1.1026	1.1019	1.1019	4.4169
O4	1.3643	2.3821	3.7411		2.2607	2.5970	2.5970	4.5481	4.0647	4.0647	0.9700
O5	1.2140	2.4382	2.8566	2.2607		3.1240	3.1240	3.9438	2.8316	2.8316	2.2898
H6	2.1241	1.1044	2.1944	2.5970	3.1240		1.7643	2.5325	3.1088	2.5541	3.4774
H7	2.1241	1.1044	2.1944	2.5970	3.1240	1.7643		2.5325	2.5541	3.1088	3.4774
H8	3.4869	2.1736	1.1026	4.5481	3.9438	2.5325	2.5325		1.7903	1.7903	5.3231
H9	2.8047	2.1825	1.1019	4.0647	2.8316	3.1088	2.5541	1.7903		1.7803	4.6160
H10	2.8047	2.1825	1.1019	4.0647	2.8316	2.5541	3.1088	1.7903	1.7803		4.6160
H11	1.8833	3.2078	4.4169	0.9700	2.2898	3.4774	3.4774	5.3231	4.6160	4.6160

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	112.699	C1	C2	H6	107.236
C1	C2	H7	107.236	C1	O4	H11	106.338
C2	C1	O4	111.454	C2	C1	O5	126.135
C2	C3	H8	110.098	C2	C3	H9	110.842
C2	C3	H10	110.842	C3	C2	H6	111.638
C3	C2	H7	111.638	O4	C1	O5	122.411
H6	C2	H7	106.022	H8	C3	H9	108.601
H8	C3	H10	108.601	H9	C3	H10	107.778

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

using model chemistry: CCSD/aug-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 CH3CH2COOH (Propanoic Acid)

using model chemistry: CCSD/aug-cc-pVDZ

States and conformations

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