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	hartrees
Energy at 0K	-267.726280
Energy at 298.15K	-267.733530
HF Energy	-266.907158
Nuclear repulsion energy	178.517490

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3832	3660	41.65
2	A'	3145	3004	22.35
3	A'	3071	2933	7.73
4	A'	3066	2928	22.10
5	A'	1907	1821	275.92
6	A'	1533	1465	17.57
7	A'	1505	1438	12.47
8	A'	1471	1405	23.45
9	A'	1452	1387	46.86
10	A'	1362	1301	6.37
11	A'	1226	1171	282.45
12	A'	1120	1069	35.26
13	A'	1036	989	1.95
14	A'	846	808	10.35
15	A'	635	606	25.15
16	A'	478	457	21.71
17	A'	259	247	2.36
18	A"	3152	3011	23.78
19	A"	3109	2969	3.80
20	A"	1528	1459	8.58
21	A"	1311	1252	0.08
22	A"	1143	1092	0.57
23	A"	830	793	19.90
24	A"	675	645	111.58
25	A"	531	507	28.92
26	A"	222	212	0.00
27	A"	54	51	0.01

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.573	0.000
C2	-0.600	-0.814	0.000
C3	0.458	-1.913	0.000
O4	-0.959	1.524	0.000
O5	1.171	0.837	0.000
H6	-1.259	-0.887	0.874
H7	-1.259	-0.887	-0.874
H8	-0.016	-2.900	0.000
H9	1.100	-1.837	-0.882
H10	1.100	-1.837	0.882
H11	-0.510	2.377	0.000

	C1	C2	C3	O4	O5	H6	H7	H8	H9	H10	H11
C1		1.5110	2.5274	1.3504	1.2005	2.1168	2.1168	3.4726	2.7923	2.7923	1.8743
C2	1.5110		1.5259	2.3649	2.4214	1.0972	1.0972	2.1664	2.1721	2.1721	3.1914
C3	2.5274	1.5259		3.7172	2.8407	2.1831	2.1831	1.0948	1.0937	1.0937	4.3971
O4	1.3504	2.3649	3.7172		2.2377	2.5820	2.5820	4.5230	4.0391	4.0391	0.9633
O5	1.2005	2.4214	2.8407	2.2377		3.1052	3.1052	3.9207	2.8168	2.8168	2.2794
H6	2.1168	1.0972	2.1831	2.5820	3.1052		1.7488	2.5223	3.0912	2.5437	3.4605
H7	2.1168	1.0972	2.1831	2.5820	3.1052	1.7488		2.5223	2.5437	3.0912	3.4605
H8	3.4726	2.1664	1.0948	4.5230	3.9207	2.5223	2.5223		1.7756	1.7756	5.2992
H9	2.7923	2.1721	1.0937	4.0391	2.8168	3.0912	2.5437	1.7756		1.7642	4.5963
H10	2.7923	2.1721	1.0937	4.0391	2.8168	2.5437	3.0912	1.7756	1.7642		4.5963
H11	1.8743	3.1914	4.3971	0.9633	2.2794	3.4605	3.4605	5.2992	4.5963	4.5963

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	112.661	C1	C2	H6	107.444
C1	C2	H7	107.444	C1	O4	H11	107.019
C2	C1	O4	111.358	C2	C1	O5	126.130
C2	C3	H8	110.429	C2	C3	H9	110.950
C2	C3	H10	110.950	C3	C2	H6	111.621
C3	C2	H7	111.621	O4	C1	O5	122.512
H6	C2	H7	105.675	H8	C3	H9	108.447
H8	C3	H10	108.447	H9	C3	H10	107.512

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)