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	hartrees
Energy at 0K	-268.000571
Energy at 298.15K	-268.007849
HF Energy	-266.951081
Nuclear repulsion energy	179.406471

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3788	3596	74.50
2	A'	3188	3026	14.01
3	A'	3113	2956	19.55
4	A'	3112	2954	3.72
5	A'	1837	1744	227.74
6	A'	1529	1452	11.05
7	A'	1485	1410	14.68
8	A'	1442	1369	24.83
9	A'	1427	1355	49.37
10	A'	1319	1252	4.69
11	A'	1180	1120	211.13
12	A'	1110	1054	83.06
13	A'	1036	983	2.12
14	A'	839	796	8.49
15	A'	621	590	19.19
16	A'	476	452	20.50
17	A'	256	243	2.47
18	A"	3190	3029	13.62
19	A"	3142	2983	1.47
20	A"	1524	1447	7.42
21	A"	1305	1239	0.04
22	A"	1125	1068	0.18
23	A"	824	783	13.39
24	A"	665	632	81.83
25	A"	536	509	25.39
26	A"	235	223	0.00
27	A"	64	61	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.563	0.000
C2	-0.603	-0.805	0.000
C3	0.444	-1.896	0.000
O4	-0.953	1.521	0.000
O5	1.178	0.819	0.000
H6	-1.254	-0.872	0.867
H7	-1.254	-0.872	-0.867
H8	-0.025	-2.873	0.000
H9	1.080	-1.817	-0.874
H10	1.080	-1.817	0.874
H11	-0.474	2.361	0.000

	C1	C2	C3	O4	O5	H6	H7	H8	H9	H10	H11
C1		1.4951	2.4986	1.3515	1.2056	2.0940	2.0940	3.4363	2.7555	2.7555	1.8595
C2	1.4951		1.5115	2.3527	2.4101	1.0865	1.0865	2.1471	2.1488	2.1488	3.1690
C3	2.4986	1.5115		3.6916	2.8121	2.1639	2.1639	1.0841	1.0836	1.0836	4.3548
O4	1.3515	2.3527	3.6916		2.2440	2.5635	2.5635	4.4914	4.0047	4.0047	0.9671
O5	1.2056	2.4101	2.8121	2.2440		3.0866	3.0866	3.8830	2.7782	2.7782	2.2601
H6	2.0940	1.0865	2.1639	2.5635	3.0866		1.7340	2.5031	3.0609	2.5177	3.4375
H7	2.0940	1.0865	2.1639	2.5635	3.0866	1.7340		2.5031	2.5177	3.0609	3.4375
H8	3.4363	2.1471	1.0841	4.4914	3.8830	2.5031	2.5031		1.7609	1.7609	5.2536
H9	2.7555	2.1488	1.0836	4.0047	2.7782	3.0609	2.5177	1.7609		1.7476	4.5422
H10	2.7555	2.1488	1.0836	4.0047	2.7782	2.5177	3.0609	1.7609	1.7476		4.5422
H11	1.8595	3.1690	4.3548	0.9671	2.2601	3.4375	3.4375	5.2536	4.5422	4.5422

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	112.409	C1	C2	H6	107.351
C1	C2	H7	107.351	C1	O4	H11	105.446
C2	C1	O4	111.385	C2	C1	O5	126.014
C2	C3	H8	110.542	C2	C3	H9	110.709
C2	C3	H10	110.709	C3	C2	H6	111.748
C3	C2	H7	111.748	O4	C1	O5	122.601
H6	C2	H7	105.870	H8	C3	H9	108.650
H8	C3	H10	108.650	H9	C3	H10	107.490

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

using model chemistry: MP2=FULL/cc-pVTZ

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: MP2=FULL/cc-pVTZ

States and conformations

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