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	hartrees
Energy at 0K	-267.673941
Energy at 298.15K	-267.681158
HF Energy	-266.858227
Nuclear repulsion energy	178.060548

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3846	3621	53.20
2	A'	3205	3017	23.89
3	A'	3123	2940	5.44
4	A'	3121	2938	24.99
5	A'	1869	1759	235.26
6	A'	1559	1468	8.96
7	A'	1527	1437	8.43
8	A'	1482	1396	12.85
9	A'	1462	1377	47.69
10	A'	1350	1271	4.12
11	A'	1211	1140	240.41
12	A'	1123	1057	55.48
13	A'	1041	980	1.35
14	A'	841	792	7.10
15	A'	620	584	24.41
16	A'	472	444	22.06
17	A'	256	241	2.43
18	A"	3213	3025	24.14
19	A"	3163	2978	5.56
20	A"	1553	1462	4.31
21	A"	1321	1244	0.00
22	A"	1147	1079	0.61
23	A"	832	783	14.16
24	A"	672	633	111.03
25	A"	525	494	18.65
26	A"	219	206	0.00
27	A"	54	50	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.570	0.000
C2	-0.606	-0.814	0.000
C3	0.449	-1.913	0.000
O4	-0.961	1.531	0.000
O5	1.186	0.831	0.000
H6	-1.260	-0.884	0.872
H7	-1.260	-0.884	-0.872
H8	-0.027	-2.893	0.000
H9	1.087	-1.836	-0.879
H10	1.087	-1.836	0.879
H11	-0.489	2.377	0.000

	C1	C2	C3	O4	O5	H6	H7	H8	H9	H10	H11
C1		1.5104	2.5231	1.3590	1.2144	2.1124	2.1124	3.4632	2.7830	2.7830	1.8720
C2	1.5104		1.5236	2.3713	2.4324	1.0926	1.0926	2.1586	2.1644	2.1644	3.1926
C3	2.5231	1.5236		3.7214	2.8415	2.1774	2.1774	1.0900	1.0890	1.0890	4.3912
O4	1.3590	2.3713	3.7214		2.2579	2.5850	2.5850	4.5216	4.0380	4.0380	0.9684
O5	1.2144	2.4324	2.8415	2.2579		3.1123	3.1123	3.9172	2.8107	2.8107	2.2792
H6	2.1124	1.0926	2.1774	2.5850	3.1123		1.7443	2.5135	3.0795	2.5328	3.4623
H7	2.1124	1.0926	2.1774	2.5850	3.1123	1.7443		2.5135	2.5328	3.0795	3.4623
H8	3.4632	2.1586	1.0900	4.5216	3.9172	2.5135	2.5135		1.7697	1.7697	5.2903
H9	2.7830	2.1644	1.0890	4.0380	2.8107	3.0795	2.5328	1.7697		1.7590	4.5835
H10	2.7830	2.1644	1.0890	4.0380	2.8107	2.5328	3.0795	1.7697	1.7590		4.5835
H11	1.8720	3.1926	4.3912	0.9684	2.2792	3.4623	3.4623	5.2903	4.5835	4.5835

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	112.533	C1	C2	H6	107.408
C1	C2	H7	107.408	C1	O4	H11	105.872
C2	C1	O4	111.362	C2	C1	O5	126.078
C2	C3	H8	110.258	C2	C3	H9	110.775
C2	C3	H10	110.775	C3	C2	H6	111.606
C3	C2	H7	111.606	O4	C1	O5	122.559
H6	C2	H7	105.927	H8	C3	H9	108.615
H8	C3	H10	108.615	H9	C3	H10	107.722

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)