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	hartrees
Energy at 0K	-267.185032
Energy at 298.15K	-267.192313
HF Energy	-266.719186
Nuclear repulsion energy	176.614685

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3785	3539	50.26
2	A'	3200	2993	23.98
3	A'	3129	2926	2.61
4	A'	3123	2921	26.31
5	A'	1832	1713	234.84
6	A'	1595	1492	11.25
7	A'	1573	1471	17.03
8	A'	1527	1428	6.90
9	A'	1491	1394	52.69
10	A'	1382	1293	10.90
11	A'	1205	1127	213.24
12	A'	1140	1066	119.64
13	A'	1067	998	13.76
14	A'	849	794	3.48
15	A'	633	592	24.77
16	A'	479	448	29.37
17	A'	263	246	2.53
18	A"	3210	3002	25.55
19	A"	3162	2957	3.25
20	A"	1591	1488	6.82
21	A"	1354	1266	0.05
22	A"	1196	1118	0.66
23	A"	865	809	15.95
24	A"	659	616	176.87
25	A"	543	508	33.78
26	A"	210	197	0.01
27	A"	61	58	0.02

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.564	0.000
C2	-0.602	-0.818	0.000
C3	0.457	-1.929	0.000
O4	-0.972	1.542	0.000
O5	1.196	0.842	0.000
H6	-1.257	-0.893	0.875
H7	-1.257	-0.893	-0.875
H8	-0.027	-2.909	0.000
H9	1.098	-1.858	-0.882
H10	1.098	-1.858	0.882
H11	-0.582	2.431	0.000

	C1	C2	C3	O4	O5	H6	H7	H8	H9	H10	H11
C1		1.5077	2.5343	1.3788	1.2283	2.1137	2.1137	3.4730	2.8017	2.8017	1.9557
C2	1.5077		1.5344	2.3891	2.4477	1.0955	1.0955	2.1681	2.1790	2.1790	3.2497
C3	2.5343	1.5344		3.7533	2.8677	2.1856	2.1856	1.0933	1.0924	1.0924	4.4820
O4	1.3788	2.3891	3.7533		2.2785	2.6027	2.6027	4.5500	4.0770	4.0770	0.9713
O5	1.2283	2.4477	2.8677	2.2785		3.1296	3.1296	3.9455	2.8422	2.8422	2.3847
H6	2.1137	1.0955	2.1856	2.6027	3.1296		1.7496	2.5185	3.0926	2.5451	3.5029
H7	2.1137	1.0955	2.1856	2.6027	3.1296	1.7496		2.5185	2.5451	3.0926	3.5029
H8	3.4730	2.1681	1.0933	4.5500	3.9455	2.5185	2.5185		1.7742	1.7742	5.3689
H9	2.8017	2.1790	1.0924	4.0770	2.8422	3.0926	2.5451	1.7742		1.7640	4.6901
H10	2.8017	2.1790	1.0924	4.0770	2.8422	2.5451	3.0926	1.7742	1.7640		4.6901
H11	1.9557	3.2497	4.4820	0.9713	2.3847	3.5029	3.5029	5.3689	4.6901	4.6901

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	112.826	C1	C2	H6	107.518
C1	C2	H7	107.518	C1	O4	H11	111.477
C2	C1	O4	111.647	C2	C1	O5	126.614
C2	C3	H8	110.059	C2	C3	H9	110.978
C2	C3	H10	110.978	C3	C2	H6	111.326
C3	C2	H7	111.326	O4	C1	O5	121.739
H6	C2	H7	105.984	H8	C3	H9	108.530
H8	C3	H10	108.530	H9	C3	H10	107.677

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)