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	hartrees
Energy at 0K	-267.685249
Energy at 298.15K	-267.692499
HF Energy	-266.870526
Nuclear repulsion energy	177.923135

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3826	3660	61.63
2	A'	3171	3034	20.70
3	A'	3089	2955	5.02
4	A'	3083	2949	26.09
5	A'	1913	1830	260.75
6	A'	1505	1440	20.45
7	A'	1470	1407	17.99
8	A'	1459	1396	42.90
9	A'	1425	1363	16.90
10	A'	1341	1283	1.21
11	A'	1218	1166	257.95
12	A'	1112	1064	30.95
13	A'	1028	984	2.17
14	A'	844	807	9.05
15	A'	628	600	25.48
16	A'	474	454	18.70
17	A'	255	244	2.36
18	A"	3177	3039	20.76
19	A"	3130	2995	4.92
20	A"	1496	1431	5.48
21	A"	1289	1233	0.02
22	A"	1121	1072	0.52
23	A"	820	784	15.55
24	A"	663	634	88.42
25	A"	530	507	24.95
26	A"	226	216	0.00
27	A"	62	59	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.575	0.000
C2	-0.607	-0.814	0.000
C3	0.453	-1.915	0.000
O4	-0.958	1.533	0.000
O5	1.179	0.829	0.000
H6	-1.271	-0.884	0.881
H7	-1.271	-0.884	-0.881
H8	-0.024	-2.910	0.000
H9	1.100	-1.836	-0.890
H10	1.100	-1.836	0.890
H11	-0.478	2.377	0.000

	C1	C2	C3	O4	O5	H6	H7	H8	H9	H10	H11
C1		1.5158	2.5315	1.3543	1.2059	2.1268	2.1268	3.4858	2.7954	2.7954	1.8637
C2	1.5158		1.5291	2.3725	2.4267	1.1057	1.1057	2.1765	2.1797	2.1797	3.1927
C3	2.5315	1.5291		3.7257	2.8388	2.1936	2.1936	1.1033	1.1030	1.1030	4.3918
O4	1.3543	2.3725	3.7257		2.2494	2.5922	2.5922	4.5404	4.0463	4.0463	0.9701
O5	1.2059	2.4267	2.8388	2.2494		3.1170	3.1170	3.9281	2.8104	2.8104	2.2674
H6	2.1268	1.1057	2.1936	2.5922	3.1170		1.7629	2.5372	3.1087	2.5548	3.4698
H7	2.1268	1.1057	2.1936	2.5922	3.1170	1.7629		2.5372	2.5548	3.1087	3.4698
H8	3.4858	2.1765	1.1033	4.5404	3.9281	2.5372	2.5372		1.7915	1.7915	5.3064
H9	2.7954	2.1797	1.1030	4.0463	2.8104	3.1087	2.5548	1.7915		1.7793	4.5853
H10	2.7954	2.1797	1.1030	4.0463	2.8104	2.5548	3.1087	1.7915	1.7793		4.5853
H11	1.8637	3.1927	4.3918	0.9701	2.2674	3.4698	3.4698	5.3064	4.5853	4.5853

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	112.481	C1	C2	H6	107.412
C1	C2	H7	107.412	C1	O4	H11	105.407
C2	C1	O4	111.386	C2	C1	O5	125.769
C2	C3	H8	110.503	C2	C3	H9	110.776
C2	C3	H10	110.776	C3	C2	H6	111.719
C3	C2	H7	111.719	O4	C1	O5	122.845
H6	C2	H7	105.728	H8	C3	H9	108.583
H8	C3	H10	108.583	H9	C3	H10	107.526

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

using model chemistry: CCD/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: CCD/cc-pVDZ

States and conformations

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