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	hartrees
Energy at 0K	-268.124581
Energy at 298.15K	-268.131744
HF Energy	-267.872766
Nuclear repulsion energy	177.979236

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3703	3511	51.56
2	A'	3176	3012	21.63
3	A'	3101	2941	17.86
4	A'	3091	2932	11.56
5	A'	1845	1750	233.20
6	A'	1551	1471	9.67
7	A'	1514	1436	11.64
8	A'	1467	1392	2.96
9	A'	1445	1370	51.38
10	A'	1338	1269	3.34
11	A'	1194	1132	238.40
12	A'	1111	1053	64.45
13	A'	1033	979	1.37
14	A'	831	788	8.80
15	A'	616	584	21.25
16	A'	470	445	21.96
17	A'	255	242	2.66
18	A"	3184	3020	20.98
19	A"	3126	2965	5.07
20	A"	1546	1466	5.79
21	A"	1312	1244	0.02
22	A"	1138	1079	0.40
23	A"	829	786	18.05
24	A"	683	647	105.14
25	A"	526	499	19.29
26	A"	216	204	0.00
27	A"	44	41	0.01

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.570	0.000
C2	-0.605	-0.814	0.000
C3	0.449	-1.914	0.000
O4	-0.961	1.531	0.000
O5	1.184	0.834	0.000
H6	-1.263	-0.887	0.872
H7	-1.263	-0.887	-0.872
H8	-0.027	-2.897	0.000
H9	1.090	-1.840	-0.880
H10	1.090	-1.840	0.880
H11	-0.484	2.382	0.000

	C1	C2	C3	O4	O5	H6	H7	H8	H9	H10	H11
C1		1.5098	2.5239	1.3587	1.2135	2.1159	2.1159	3.4668	2.7871	2.7871	1.8759
C2	1.5098		1.5238	2.3711	2.4322	1.0953	1.0953	2.1619	2.1681	2.1681	3.1980
C3	2.5239	1.5238		3.7220	2.8445	2.1793	2.1793	1.0925	1.0915	1.0915	4.3963
O4	1.3587	2.3711	3.7220		2.2552	2.5875	2.5875	4.5249	4.0422	4.0422	0.9756
O5	1.2135	2.4322	2.8445	2.2552		3.1163	3.1163	3.9227	2.8163	2.8163	2.2761
H6	2.1159	1.0953	2.1793	2.5875	3.1163		1.7446	2.5160	3.0853	2.5390	3.4715
H7	2.1159	1.0953	2.1793	2.5875	3.1163	1.7446		2.5160	2.5390	3.0853	3.4715
H8	3.4668	2.1619	1.0925	4.5249	3.9227	2.5160	2.5160		1.7726	1.7726	5.2988
H9	2.7871	2.1681	1.0915	4.0422	2.8163	3.0853	2.5390	1.7726		1.7609	4.5909
H10	2.7871	2.1681	1.0915	4.0422	2.8163	2.5390	3.0853	1.7726	1.7609		4.5909
H11	1.8759	3.1980	4.3963	0.9756	2.2761	3.4715	3.4715	5.2988	4.5909	4.5909

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	112.610	C1	C2	H6	107.561
C1	C2	H7	107.561	C1	O4	H11	105.788
C2	C1	O4	111.397	C2	C1	O5	126.194
C2	C3	H8	110.361	C2	C3	H9	110.915
C2	C3	H10	110.915	C3	C2	H6	111.581
C3	C2	H7	111.581	O4	C1	O5	122.409
H6	C2	H7	105.579	H8	C3	H9	108.507
H8	C3	H10	108.507	H9	C3	H10	107.538

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

using model chemistry: B2PLYP=FULL/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: B2PLYP=FULL/6-31G*

States and conformations

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