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	hartrees
Energy at 0K	-267.270860
Energy at 298.15K	-267.277879
HF Energy	-266.760731
Nuclear repulsion energy	173.461980

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3608	3482	39.54
2	A'	3141	3032	30.97
3	A'	3056	2950	10.58
4	A'	3038	2933	27.21
5	A'	1668	1610	171.85
6	A'	1542	1488	8.93
7	A'	1511	1459	22.83
8	A'	1468	1417	11.17
9	A'	1417	1368	31.61
10	A'	1286	1242	8.40
11	A'	1131	1092	66.84
12	A'	1061	1024	198.90
13	A'	1012	977	107.18
14	A'	790	763	4.34
15	A'	579	559	12.63
16	A'	445	429	30.85
17	A'	245	237	1.77
18	A"	3149	3039	38.03
19	A"	3111	3003	3.53
20	A"	1537	1484	8.41
21	A"	1299	1254	0.00
22	A"	1156	1116	0.02
23	A"	832	803	11.05
24	A"	629	607	167.18
25	A"	510	492	30.49
26	A"	207	200	0.00
27	A"	39	38	0.07

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.565	0.000
C2	-0.600	-0.842	0.000
C3	0.491	-1.950	0.000
O4	-1.025	1.546	0.000
O5	1.216	0.882	0.000
H6	-1.255	-0.923	0.887
H7	-1.255	-0.923	-0.887
H8	0.011	-2.945	0.000
H9	1.135	-1.868	-0.892
H10	1.135	-1.868	0.892
H11	-0.638	2.457	0.000

	C1	C2	C3	O4	O5	H6	H7	H8	H9	H10	H11
C1		1.5298	2.5634	1.4191	1.2563	2.1389	2.1389	3.5100	2.8294	2.8294	1.9964
C2	1.5298		1.5560	2.4254	2.5040	1.1050	1.1050	2.1901	2.2047	2.2047	3.2990
C3	2.5634	1.5560		3.8115	2.9240	2.2115	2.2115	1.1037	1.1028	1.1028	4.5500
O4	1.4191	2.4254	3.8115		2.3374	2.6333	2.6333	4.6090	4.1378	4.1378	0.9898
O5	1.2563	2.5040	2.9240	2.3374		3.1853	3.1853	4.0119	2.8925	2.8925	2.4323
H6	2.1389	1.1050	2.2115	2.6333	3.1853		1.7739	2.5451	3.1253	2.5699	3.5481
H7	2.1389	1.1050	2.2115	2.6333	3.1853	1.7739		2.5451	2.5699	3.1253	3.5481
H8	3.5100	2.1901	1.1037	4.6090	4.0119	2.5451	2.5451		1.7933	1.7933	5.4406
H9	2.8294	2.2047	1.1028	4.1378	2.8925	3.1253	2.5699	1.7933		1.7831	4.7589
H10	2.8294	2.2047	1.1028	4.1378	2.8925	2.5699	3.1253	1.7933	1.7831		4.7589
H11	1.9964	3.2990	4.5500	0.9898	2.4323	3.5481	3.5481	5.4406	4.7589	4.7589

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	112.342	C1	C2	H6	107.442
C1	C2	H7	107.442	C1	O4	H11	110.684
C2	C1	O4	110.617	C2	C1	O5	127.721
C2	C3	H8	109.689	C2	C3	H9	110.879
C2	C3	H10	110.879	C3	C2	H6	111.288
C3	C2	H7	111.288	O4	C1	O5	121.662
H6	C2	H7	106.763	H8	C3	H9	108.721
H8	C3	H10	108.721	H9	C3	H10	107.886

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

using model chemistry: MP2/SDD

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/SDD

States and conformations

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