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	hartrees
Energy at 0K	-267.622269
Energy at 298.15K	-267.629479
HF Energy	-266.843095
Nuclear repulsion energy	177.778209

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3708	3532	54.02
2	A'	3159	3008	21.92
3	A'	3083	2936	11.95
4	A'	3079	2932	16.47
5	A'	1869	1780	237.62
6	A'	1550	1477	11.79
7	A'	1524	1451	9.91
8	A'	1479	1409	13.48
9	A'	1460	1390	51.18
10	A'	1353	1288	0.86
11	A'	1212	1154	249.08
12	A'	1122	1069	49.23
13	A'	1041	991	1.80
14	A'	841	801	7.41
15	A'	621	592	23.78
16	A'	473	450	22.89
17	A'	257	245	2.50
18	A"	3168	3017	21.61
19	A"	3116	2968	4.85
20	A"	1545	1471	5.83
21	A"	1315	1252	0.02
22	A"	1146	1091	0.55
23	A"	834	794	16.88
24	A"	676	644	114.11
25	A"	527	502	20.01
26	A"	218	207	0.00
27	A"	57	54	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.569	0.000
C2	-0.606	-0.814	0.000
C3	0.450	-1.915	0.000
O4	-0.961	1.532	0.000
O5	1.186	0.834	0.000
H6	-1.265	-0.886	0.876
H7	-1.265	-0.886	-0.876
H8	-0.029	-2.901	0.000
H9	1.092	-1.840	-0.884
H10	1.092	-1.840	0.884
H11	-0.486	2.386	0.000

	C1	C2	C3	O4	O5	H6	H7	H8	H9	H10	H11
C1		1.5105	2.5248	1.3602	1.2147	2.1178	2.1178	3.4704	2.7889	2.7889	1.8801
C2	1.5105		1.5253	2.3728	2.4341	1.0986	1.0986	2.1647	2.1715	2.1715	3.2023
C3	2.5248	1.5253		3.7245	2.8452	2.1837	2.1837	1.0963	1.0950	1.0950	4.4013
O4	1.3602	2.3728	3.7245		2.2576	2.5891	2.5891	4.5295	4.0453	4.0453	0.9777
O5	1.2147	2.4341	2.8452	2.2576		3.1192	3.1192	3.9271	2.8172	2.8172	2.2808
H6	2.1178	1.0986	2.1837	2.5891	3.1192		1.7517	2.5209	3.0924	2.5429	3.4753
H7	2.1178	1.0986	2.1837	2.5891	3.1192	1.7517		2.5209	2.5429	3.0924	3.4753
H8	3.4704	2.1647	1.0963	4.5295	3.9271	2.5209	2.5209		1.7789	1.7789	5.3062
H9	2.7889	2.1715	1.0950	4.0453	2.8172	3.0924	2.5429	1.7789		1.7679	4.5962
H10	2.7889	2.1715	1.0950	4.0453	2.8172	2.5429	3.0924	1.7789	1.7679		4.5962
H11	1.8801	3.2023	4.4013	0.9777	2.2808	3.4753	3.4753	5.3062	4.5962	4.5962

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	112.543	C1	C2	H6	107.475
C1	C2	H7	107.475	C1	O4	H11	105.905
C2	C1	O4	111.383	C2	C1	O5	126.206
C2	C3	H8	110.255	C2	C3	H9	110.869
C2	C3	H10	110.869	C3	C2	H6	111.625
C3	C2	H7	111.625	O4	C1	O5	122.411
H6	C2	H7	105.735	H8	C3	H9	108.549
H8	C3	H10	108.549	H9	C3	H10	107.660

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

using model chemistry: QCISD/6-31G*

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: QCISD/6-31G*

States and conformations

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