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	hartrees
Energy at 0K	-265.819569
Energy at 298.15K	-265.826860
HF Energy	-265.355432
Nuclear repulsion energy	177.239633

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3675	3423	26.35
2	A'	3210	2991	18.10
3	A'	3153	2937	3.93
4	A'	3144	2929	16.72
5	A'	1872	1744	182.99
6	A'	1617	1506	9.05
7	A'	1583	1475	20.28
8	A'	1531	1427	11.33
9	A'	1474	1373	49.04
10	A'	1400	1305	2.41
11	A'	1193	1112	187.89
12	A'	1128	1051	137.08
13	A'	1036	965	6.82
14	A'	832	775	8.61
15	A'	637	593	22.10
16	A'	479	446	30.12
17	A'	261	243	2.45
18	A"	3217	2997	19.82
19	A"	3184	2966	0.68
20	A"	1617	1507	7.00
21	A"	1367	1274	0.17
22	A"	1199	1117	0.48
23	A"	870	811	19.03
24	A"	660	614	135.95
25	A"	544	507	42.69
26	A"	205	191	0.00
27	A"	69	64	0.02

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.561	0.000
C2	-0.611	-0.820	0.000
C3	0.477	-1.906	0.000
O4	-0.982	1.527	0.000
O5	1.186	0.834	0.000
H6	-1.257	-0.899	0.877
H7	-1.257	-0.899	-0.877
H8	0.025	-2.899	0.000
H9	1.111	-1.807	-0.881
H10	1.111	-1.807	0.881
H11	-0.565	2.418	0.000

	C1	C2	C3	O4	O5	H6	H7	H8	H9	H10	H11
C1		1.5107	2.5134	1.3777	1.2174	2.1171	2.1171	3.4600	2.7607	2.7607	1.9407
C2	1.5107		1.5378	2.3766	2.4430	1.0921	1.0921	2.1736	2.1721	2.1721	3.2384
C3	2.5134	1.5378		3.7309	2.8306	2.1889	2.1889	1.0905	1.0900	1.0900	4.4481
O4	1.3777	2.3766	3.7309		2.2769	2.5947	2.5947	4.5390	4.0347	4.0347	0.9835
O5	1.2174	2.4430	2.8306	2.2769		3.1214	3.1214	3.9091	2.7854	2.7854	2.3615
H6	2.1171	1.0921	2.1889	2.5947	3.1214		1.7546	2.5319	3.0862	2.5363	3.5002
H7	2.1171	1.0921	2.1889	2.5947	3.1214	1.7546		2.5319	2.5363	3.0862	3.5002
H8	3.4600	2.1736	1.0905	4.5390	3.9091	2.5319	2.5319		1.7740	1.7740	5.3492
H9	2.7607	2.1721	1.0900	4.0347	2.7854	3.0862	2.5363	1.7740		1.7622	4.6302
H10	2.7607	2.1721	1.0900	4.0347	2.7854	2.5363	3.0862	1.7740	1.7622		4.6302
H11	1.9407	3.2384	4.4481	0.9835	2.3615	3.5002	3.5002	5.3492	4.6302	4.6302

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	111.065	C1	C2	H6	107.778
C1	C2	H7	107.778	C1	O4	H11	109.421
C2	C1	O4	110.651	C2	C1	O5	126.812
C2	C3	H8	110.432	C2	C3	H9	110.339
C2	C3	H10	110.339	C3	C2	H6	111.556
C3	C2	H7	111.556	O4	C1	O5	122.538
H6	C2	H7	106.896	H8	C3	H9	108.899
H8	C3	H10	108.899	H9	C3	H10	107.873

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

using model chemistry: CID/3-21G

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: CID/3-21G

States and conformations

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