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	hartrees
Energy at 0K	-267.777286
Energy at 298.15K	-267.784528
HF Energy	-266.921276
Nuclear repulsion energy	178.557667

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3883	3708	61.06
2	A'	3158	3016	22.92
3	A'	3085	2946	8.48
4	A'	3078	2940	21.24
5	A'	1908	1822	267.64
6	A'	1527	1459	13.00
7	A'	1494	1426	10.02
8	A'	1466	1400	33.37
9	A'	1444	1380	36.77
10	A'	1352	1291	0.52
11	A'	1219	1164	268.39
12	A'	1117	1066	41.59
13	A'	1033	987	1.43
14	A'	845	807	9.79
15	A'	633	604	25.39
16	A'	476	455	19.40
17	A'	258	246	2.27
18	A"	3164	3022	24.99
19	A"	3123	2983	3.72
20	A"	1521	1453	6.12
21	A"	1305	1246	0.00
22	A"	1135	1084	0.61
23	A"	829	792	13.43
24	A"	650	620	88.74
25	A"	520	497	32.68
26	A"	228	218	0.00
27	A"	52	50	0.01

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.574	0.000
C2	-0.603	-0.813	0.000
C3	0.457	-1.912	0.000
O4	-0.958	1.527	0.000
O5	1.171	0.832	0.000
H6	-1.258	-0.884	0.876
H7	-1.258	-0.884	-0.876
H8	-0.018	-2.898	0.000
H9	1.097	-1.832	-0.883
H10	1.097	-1.832	0.883
H11	-0.491	2.369	0.000

	C1	C2	C3	O4	O5	H6	H7	H8	H9	H10	H11
C1		1.5127	2.5280	1.3511	1.1995	2.1161	2.1161	3.4724	2.7879	2.7879	1.8610
C2	1.5127		1.5271	2.3668	2.4199	1.0964	1.0964	2.1658	2.1701	2.1701	3.1841
C3	2.5280	1.5271		3.7189	2.8357	2.1832	2.1832	1.0944	1.0936	1.0936	4.3850
O4	1.3511	2.3668	3.7189		2.2398	2.5832	2.5832	4.5240	4.0355	4.0355	0.9625
O5	1.1995	2.4199	2.8357	2.2398		3.1011	3.1011	3.9153	2.8074	2.8074	2.2645
H6	2.1161	1.0964	2.1832	2.5832	3.1011		1.7527	2.5224	3.0889	2.5390	3.4554
H7	2.1161	1.0964	2.1832	2.5832	3.1011	1.7527		2.5224	2.5390	3.0889	3.4554
H8	3.4724	2.1658	1.0944	4.5240	3.9153	2.5224	2.5224		1.7777	1.7777	5.2885
H9	2.7879	2.1701	1.0936	4.0355	2.8074	3.0889	2.5390	1.7777		1.7657	4.5773
H10	2.7879	2.1701	1.0936	4.0355	2.8074	2.5390	3.0889	1.7777	1.7657		4.5773
H11	1.8610	3.1841	4.3850	0.9625	2.2645	3.4554	3.4554	5.2885	4.5773	4.5773

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	112.530	C1	C2	H6	107.324
C1	C2	H7	107.324	C1	O4	H11	105.876
C2	C1	O4	111.352	C2	C1	O5	125.917
C2	C3	H8	110.318	C2	C3	H9	110.713
C2	C3	H10	110.713	C3	C2	H6	111.591
C3	C2	H7	111.591	O4	C1	O5	122.731
H6	C2	H7	106.133	H8	C3	H9	108.677
H8	C3	H10	108.677	H9	C3	H10	107.665

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

using model chemistry: CCD/6-311G**

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: CCD/6-311G**

States and conformations

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