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	hartrees
Energy at 0K	-267.602570
Energy at 298.15K	-267.609927
HF Energy	-266.908655
Nuclear repulsion energy	179.589507

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3973	3677	61.59
2	A'	3233	2991	26.83
3	A'	3165	2928	6.51
4	A'	3157	2922	26.81
5	A'	1955	1809	325.34
6	A'	1582	1464	17.69
7	A'	1550	1435	13.69
8	A'	1519	1406	22.81
9	A'	1496	1385	55.43
10	A'	1395	1291	1.95
11	A'	1267	1172	299.69
12	A'	1154	1067	34.20
13	A'	1063	984	2.12
14	A'	869	804	10.66
15	A'	652	603	28.56
16	A'	491	454	22.30
17	A'	264	244	2.64
18	A"	3242	3000	28.45
19	A"	3199	2960	4.10
20	A"	1576	1458	8.22
21	A"	1355	1253	0.14
22	A"	1179	1091	1.19
23	A"	858	794	24.13
24	A"	698	646	119.58
25	A"	548	507	28.78
26	A"	230	212	0.00
27	A"	56	52	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.571	0.000
C2	-0.597	-0.809	0.000
C3	0.454	-1.905	0.000
O4	-0.949	1.516	0.000
O5	1.163	0.834	0.000
H6	-1.252	-0.880	0.868
H7	-1.252	-0.880	-0.868
H8	-0.019	-2.884	0.000
H9	1.092	-1.834	-0.876
H10	1.092	-1.834	0.876
H11	-0.513	2.365	0.000

	C1	C2	C3	O4	O5	H6	H7	H8	H9	H10	H11
C1		1.5040	2.5177	1.3395	1.1926	2.1038	2.1038	3.4551	2.7827	2.7827	1.8658
C2	1.5040		1.5188	2.3519	2.4085	1.0891	1.0891	2.1538	2.1613	2.1613	3.1754
C3	2.5177	1.5188		3.6981	2.8299	2.1708	2.1708	1.0870	1.0859	1.0859	4.3784
O4	1.3395	2.3519	3.6981		2.2197	2.5667	2.5667	4.4974	4.0195	4.0195	0.9544
O5	1.1926	2.4085	2.8299	2.2197		3.0860	3.0860	3.9017	2.8090	2.8090	2.2699
H6	2.1038	1.0891	2.1708	2.5667	3.0860		1.7359	2.5073	3.0728	2.5302	3.4396
H7	2.1038	1.0891	2.1708	2.5667	3.0860	1.7359		2.5073	2.5302	3.0728	3.4396
H8	3.4551	2.1538	1.0870	4.4974	3.9017	2.5073	2.5073		1.7621	1.7621	5.2722
H9	2.7827	2.1613	1.0859	4.0195	2.8090	3.0728	2.5302	1.7621		1.7513	4.5797
H10	2.7827	2.1613	1.0859	4.0195	2.8090	2.5302	3.0728	1.7621	1.7513		4.5797
H11	1.8658	3.1754	4.3784	0.9544	2.2699	3.4396	3.4396	5.2722	4.5797	4.5797

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	112.792	C1	C2	H6	107.362
C1	C2	H7	107.362	C1	O4	H11	107.672
C2	C1	O4	111.476	C2	C1	O5	126.152
C2	C3	H8	110.393	C2	C3	H9	111.060
C2	C3	H10	111.060	C3	C2	H6	111.628
C3	C2	H7	111.628	O4	C1	O5	122.372
H6	C2	H7	105.681	H8	C3	H9	108.368
H8	C3	H10	108.368	H9	C3	H10	107.480

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

using model chemistry: CISD/6-311G*

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: CISD/6-311G*

States and conformations

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