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	hartrees
Energy at 0K	-267.775921
Energy at 298.15K
HF Energy	-266.941897
Nuclear repulsion energy	178.412622

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3782	3585	66.89
2	A'	3192	3026	17.76
3	A'	3108	2946	9.14
4	A'	3102	2941	16.97
5	A'	1820	1725	237.17
6	A'	1525	1445	9.98
7	A'	1485	1408	11.57
8	A'	1450	1374	3.30
9	A'	1429	1354	57.43
10	A'	1322	1254	3.71
11	A'	1181	1120	221.74
12	A'	1105	1048	105.25
13	A'	1032	978	1.19
14	A'	833	790	7.67
15	A'	624	591	16.81
16	A'	474	449	20.65
17	A'	258	245	1.98
18	A"	3198	3032	18.82
19	A"	3154	2990	1.98
20	A"	1517	1438	6.83
21	A"	1297	1229	0.00
22	A"	1128	1069	0.24
23	A"	823	780	8.86
24	A"	631	599	94.40
25	A"	510	483	31.34
26	A"	229	218	0.00
27	A"	17i	16i	0.04

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.567	0.000
C2	-0.599	-0.813	0.000
C3	0.455	-1.907	0.000
O4	-0.967	1.523	0.000
O5	1.180	0.834	0.000
H6	-1.251	-0.885	0.873
H7	-1.251	-0.885	-0.873
H8	-0.021	-2.887	0.000
H9	1.092	-1.830	-0.879
H10	1.092	-1.830	0.879
H11	-0.500	2.373	0.000

	C1	C2	C3	O4	O5	H6	H7	H8	H9	H10	H11
C1		1.5048	2.5156	1.3599	1.2100	2.1060	2.1060	3.4542	2.7777	2.7777	1.8738
C2	1.5048		1.5191	2.3649	2.4247	1.0917	1.0917	2.1531	2.1610	2.1610	3.1877
C3	2.5156	1.5191		3.7131	2.8351	2.1714	2.1714	1.0893	1.0885	1.0885	4.3852
O4	1.3599	2.3649	3.7131		2.2555	2.5771	2.5771	4.5104	4.0326	4.0326	0.9701
O5	1.2100	2.4247	2.8351	2.2555		3.1025	3.1025	3.9097	2.8070	2.8070	2.2787
H6	2.1060	1.0917	2.1714	2.5771	3.1025		1.7464	2.5065	3.0747	2.5266	3.4556
H7	2.1060	1.0917	2.1714	2.5771	3.1025	1.7464		2.5065	2.5266	3.0747	3.4556
H8	3.4542	2.1531	1.0893	4.5104	3.9097	2.5065	2.5065		1.7684	1.7684	5.2818
H9	2.7777	2.1610	1.0885	4.0326	2.8070	3.0747	2.5266	1.7684		1.7578	4.5803
H10	2.7777	2.1610	1.0885	4.0326	2.8070	2.5266	3.0747	1.7684	1.7578		4.5803
H11	1.8738	3.1877	4.3852	0.9701	2.2787	3.4556	3.4556	5.2818	4.5803	4.5803

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	112.588	C1	C2	H6	107.338
C1	C2	H7	107.338	C1	O4	H11	105.852
C2	C1	O4	111.187	C2	C1	O5	126.196
C2	C3	H8	110.174	C2	C3	H9	110.855
C2	C3	H10	110.855	C3	C2	H6	111.502
C3	C2	H7	111.502	O4	C1	O5	122.617
H6	C2	H7	106.237	H8	C3	H9	108.588
H8	C3	H10	108.588	H9	C3	H10	107.696

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

using model chemistry: MP2/TZVP

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/TZVP

States and conformations

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