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	hartrees
Energy at 0K	-267.798149
Energy at 298.15K	-267.805324
HF Energy	-266.943333
Nuclear repulsion energy	178.702424

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3851	3651	62.23
2	A'	3167	3002	22.73
3	A'	3096	2935	8.01
4	A'	3088	2928	20.95
5	A'	1891	1793	284.86
6	A'	1531	1451	11.07
7	A'	1498	1420	8.97
8	A'	1467	1391	12.98
9	A'	1449	1374	49.85
10	A'	1352	1282	0.63
11	A'	1211	1148	265.77
12	A'	1116	1058	60.39
13	A'	1035	981	0.90
14	A'	842	799	8.37
15	A'	636	603	21.49
16	A'	477	452	19.55
17	A'	259	246	2.06
18	A"	3174	3009	25.12
19	A"	3134	2971	2.76
20	A"	1522	1443	5.80
21	A"	1305	1237	0.00
22	A"	1139	1080	0.61
23	A"	829	786	9.64
24	A"	631	598	94.47
25	A"	514	487	35.79
26	A"	227	215	0.00
27	A"	24	23	0.02

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.571	0.000
C2	-0.598	-0.813	0.000
C3	0.457	-1.910	0.000
O4	-0.961	1.524	0.000
O5	1.171	0.836	0.000
H6	-1.249	-0.886	0.874
H7	-1.249	-0.886	-0.874
H8	-0.022	-2.890	0.000
H9	1.096	-1.836	-0.880
H10	1.096	-1.836	0.880
H11	-0.506	2.374	0.000

	C1	C2	C3	O4	O5	H6	H7	H8	H9	H10	H11
C1		1.5078	2.5233	1.3531	1.2001	2.1086	2.1086	3.4612	2.7877	2.7877	1.8729
C2	1.5078		1.5223	2.3649	2.4178	1.0925	1.0925	2.1553	2.1654	2.1654	3.1890
C3	2.5233	1.5223		3.7155	2.8373	2.1742	2.1742	1.0906	1.0898	1.0898	4.3918
O4	1.3531	2.3649	3.7155		2.2398	2.5790	2.5790	4.5126	4.0367	4.0367	0.9651
O5	1.2001	2.4178	2.8373	2.2398		3.0955	3.0955	3.9120	2.8144	2.8144	2.2752
H6	2.1086	1.0925	2.1742	2.5790	3.0955		1.7480	2.5077	3.0789	2.5303	3.4561
H7	2.1086	1.0925	2.1742	2.5790	3.0955	1.7480		2.5077	2.5303	3.0789	3.4561
H8	3.4612	2.1553	1.0906	4.5126	3.9120	2.5077	2.5077		1.7703	1.7703	5.2868
H9	2.7877	2.1654	1.0898	4.0367	2.8144	3.0789	2.5303	1.7703		1.7605	4.5902
H10	2.7877	2.1654	1.0898	4.0367	2.8144	2.5303	3.0789	1.7703	1.7605		4.5902
H11	1.8729	3.1890	4.3918	0.9651	2.2752	3.4561	3.4561	5.2868	4.5902	4.5902

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	112.768	C1	C2	H6	107.289
C1	C2	H7	107.289	C1	O4	H11	106.584
C2	C1	O4	111.394	C2	C1	O5	126.098
C2	C3	H8	110.055	C2	C3	H9	110.911
C2	C3	H10	110.911	C3	C2	H6	111.445
C3	C2	H7	111.445	O4	C1	O5	122.509
H6	C2	H7	106.260	H8	C3	H9	108.568
H8	C3	H10	108.568	H9	C3	H10	107.745

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

using model chemistry: CCD/TZVP

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: CCD/TZVP

States and conformations

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