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	hartrees
Energy at 0K	-265.823600
Energy at 298.15K	-265.830870
HF Energy	-265.355232
Nuclear repulsion energy	177.119776

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3662	3422	25.89
2	A'	3206	2996	18.44
3	A'	3149	2942	3.94
4	A'	3139	2934	16.98
5	A'	1859	1737	181.75
6	A'	1616	1510	8.83
7	A'	1582	1478	20.36
8	A'	1530	1430	11.11
9	A'	1470	1374	47.00
10	A'	1397	1306	2.75
11	A'	1190	1112	178.51
12	A'	1125	1051	144.20
13	A'	1034	966	7.23
14	A'	828	774	8.36
15	A'	634	592	21.71
16	A'	478	446	30.36
17	A'	261	243	2.46
18	A"	3213	3002	20.17
19	A"	3180	2971	0.63
20	A"	1616	1510	6.93
21	A"	1366	1277	0.17
22	A"	1198	1119	0.47
23	A"	869	812	19.00
24	A"	661	618	137.22
25	A"	543	508	40.37
26	A"	204	191	0.00
27	A"	68	63	0.02

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.561	0.000
C2	-0.612	-0.821	0.000
C3	0.478	-1.907	0.000
O4	-0.984	1.527	0.000
O5	1.188	0.835	0.000
H6	-1.257	-0.900	0.877
H7	-1.257	-0.900	-0.877
H8	0.026	-2.900	0.000
H9	1.112	-1.807	-0.881
H10	1.112	-1.807	0.881
H11	-0.565	2.418	0.000

	C1	C2	C3	O4	O5	H6	H7	H8	H9	H10	H11
C1		1.5115	2.5139	1.3790	1.2191	2.1180	2.1180	3.4609	2.7609	2.7609	1.9412
C2	1.5115		1.5383	2.3777	2.4456	1.0922	1.0922	2.1743	2.1727	2.1727	3.2396
C3	2.5139	1.5383		3.7324	2.8322	2.1896	2.1896	1.0906	1.0902	1.0902	4.4492
O4	1.3790	2.3777	3.7324		2.2797	2.5957	2.5957	4.5408	4.0360	4.0360	0.9843
O5	1.2191	2.4456	2.8322	2.2797		3.1240	3.1240	3.9109	2.7863	2.7863	2.3625
H6	2.1180	1.0922	2.1896	2.5957	3.1240		1.7550	2.5328	3.0869	2.5369	3.5015
H7	2.1180	1.0922	2.1896	2.5957	3.1240	1.7550		2.5328	2.5369	3.0869	3.5015
H8	3.4609	2.1743	1.0906	4.5408	3.9109	2.5328	2.5328		1.7744	1.7744	5.3507
H9	2.7609	2.1727	1.0902	4.0360	2.7863	3.0869	2.5369	1.7744		1.7625	4.6309
H10	2.7609	2.1727	1.0902	4.0360	2.7863	2.5369	3.0869	1.7744	1.7625		4.6309
H11	1.9412	3.2396	4.4492	0.9843	2.3625	3.5015	3.5015	5.3507	4.6309	4.6309

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	111.025	C1	C2	H6	107.785
C1	C2	H7	107.785	C1	O4	H11	109.312
C2	C1	O4	110.606	C2	C1	O5	126.847
C2	C3	H8	110.435	C2	C3	H9	110.335
C2	C3	H10	110.335	C3	C2	H6	111.562
C3	C2	H7	111.562	O4	C1	O5	122.547
H6	C2	H7	106.915	H8	C3	H9	108.903
H8	C3	H10	108.903	H9	C3	H10	107.870

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

using model chemistry: CISD/3-21G*

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/3-21G*

States and conformations

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