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	hartrees
Energy at 0K	-267.493272
Energy at 298.15K	-267.500609
HF Energy	-266.845764
Nuclear repulsion energy	179.184362

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3887	3591	83.10
2	A'	3260	3011	21.64
3	A'	3183	2940	8.30
4	A'	3179	2937	19.77
5	A'	1968	1818	301.00
6	A'	1597	1475	14.72
7	A'	1567	1447	11.80
8	A'	1533	1416	27.98
9	A'	1510	1395	53.87
10	A'	1396	1289	2.64
11	A'	1266	1169	279.06
12	A'	1160	1072	36.78
13	A'	1072	990	2.01
14	A'	873	806	9.20
15	A'	648	599	28.58
16	A'	490	452	22.94
17	A'	264	244	2.82
18	A"	3270	3020	20.56
19	A"	3218	2973	4.17
20	A"	1591	1470	6.14
21	A"	1359	1255	0.07
22	A"	1184	1094	1.21
23	A"	862	797	21.65
24	A"	693	641	118.68
25	A"	546	504	25.01
26	A"	225	208	0.00
27	A"	61	57	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.569	0.000
C2	-0.602	-0.808	0.000
C3	0.447	-1.907	0.000
O4	-0.949	1.522	0.000
O5	1.172	0.829	0.000
H6	-1.256	-0.878	0.869
H7	-1.256	-0.878	-0.869
H8	-0.031	-2.884	0.000
H9	1.085	-1.835	-0.877
H10	1.085	-1.835	0.877
H11	-0.491	2.373	0.000

	C1	C2	C3	O4	O5	H6	H7	H8	H9	H10	H11
C1		1.5029	2.5157	1.3447	1.2005	2.1039	2.1039	3.4530	2.7794	2.7794	1.8691
C2	1.5029		1.5188	2.3561	2.4137	1.0903	1.0903	2.1526	2.1605	2.1605	3.1828
C3	2.5157	1.5188		3.7021	2.8298	2.1715	2.1715	1.0880	1.0869	1.0869	4.3808
O4	1.3447	2.3561	3.7021		2.2311	2.5710	2.5710	4.5006	4.0217	4.0217	0.9658
O5	1.2005	2.4137	2.8298	2.2311		3.0926	3.0926	3.9027	2.8058	2.8058	2.2689
H6	2.1039	1.0903	2.1715	2.5710	3.0926		1.7384	2.5061	3.0735	2.5291	3.4506
H7	2.1039	1.0903	2.1715	2.5710	3.0926	1.7384		2.5061	2.5291	3.0735	3.4506
H8	3.4530	2.1526	1.0880	4.5006	3.9027	2.5061	2.5061		1.7651	1.7651	5.2765
H9	2.7794	2.1605	1.0869	4.0217	2.8058	3.0735	2.5291	1.7651		1.7547	4.5776
H10	2.7794	2.1605	1.0869	4.0217	2.8058	2.5291	3.0735	1.7651	1.7547		4.5776
H11	1.8691	3.1828	4.3808	0.9658	2.2689	3.4506	3.4506	5.2765	4.5776	4.5776

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	112.724	C1	C2	H6	107.385
C1	C2	H7	107.385	C1	O4	H11	106.847
C2	C1	O4	111.546	C2	C1	O5	126.094
C2	C3	H8	110.239	C2	C3	H9	110.937
C2	C3	H10	110.937	C3	C2	H6	111.619
C3	C2	H7	111.619	O4	C1	O5	122.360
H6	C2	H7	105.731	H8	C3	H9	108.495
H8	C3	H10	108.495	H9	C3	H10	107.645

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

using model chemistry: CID/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: CID/6-31G*

States and conformations

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