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	hartrees
Energy at 0K	-265.870301
Energy at 298.15K	-265.877493
HF Energy	-265.351619
Nuclear repulsion energy	175.815786

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3500	3341	16.24
2	A'	3178	3033	16.96
3	A'	3112	2970	6.44
4	A'	3104	2962	13.28
5	A'	1742	1663	113.42
6	A'	1600	1527	7.47
7	A'	1565	1494	19.33
8	A'	1504	1435	10.74
9	A'	1430	1365	35.90
10	A'	1358	1296	6.04
11	A'	1151	1099	93.77
12	A'	1081	1032	201.62
13	A'	1014	968	18.99
14	A'	802	766	6.88
15	A'	612	584	14.11
16	A'	465	444	30.16
17	A'	254	242	2.05
18	A"	3184	3039	19.30
19	A"	3149	3006	1.12
20	A"	1601	1528	6.41
21	A"	1345	1284	0.04
22	A"	1177	1123	0.05
23	A"	854	815	13.00
24	A"	654	624	128.15
25	A"	535	511	32.11
26	A"	201	192	0.00
27	A"	63	60	0.03

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.560	0.000
C2	-0.616	-0.827	0.000
C3	0.481	-1.911	0.000
O4	-1.002	1.533	0.000
O5	1.206	0.839	0.000
H6	-1.262	-0.909	0.881
H7	-1.262	-0.909	-0.881
H8	0.032	-2.908	0.000
H9	1.115	-1.807	-0.884
H10	1.115	-1.807	0.884
H11	-0.556	2.424	0.000

	C1	C2	C3	O4	O5	H6	H7	H8	H9	H10	H11
C1		1.5177	2.5176	1.3967	1.2376	2.1281	2.1281	3.4689	2.7620	2.7620	1.9450
C2	1.5177		1.5425	2.3913	2.4686	1.0956	1.0956	2.1803	2.1774	2.1774	3.2514
C3	2.5176	1.5425		3.7499	2.8440	2.1950	2.1950	1.0939	1.0933	1.0933	4.4574
O4	1.3967	2.3913	3.7499		2.3143	2.6096	2.6096	4.5604	4.0522	4.0522	0.9964
O5	1.2376	2.4686	2.8440	2.3143		3.1502	3.1502	3.9272	2.7910	2.7910	2.3698
H6	2.1281	1.0956	2.1950	2.6096	3.1502		1.7622	2.5391	3.0943	2.5414	3.5195
H7	2.1281	1.0956	2.1950	2.6096	3.1502	1.7622		2.5391	2.5414	3.0943	3.5195
H8	3.4689	2.1803	1.0939	4.5604	3.9272	2.5391	2.5391		1.7806	1.7806	5.3649
H9	2.7620	2.1774	1.0933	4.0522	2.7910	3.0943	2.5414	1.7806		1.7683	4.6341
H10	2.7620	2.1774	1.0933	4.0522	2.7910	2.5414	3.0943	1.7806	1.7683		4.6341
H11	1.9450	3.2514	4.4574	0.9964	2.3698	3.5195	3.5195	5.3649	4.6341	4.6341

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	110.711	C1	C2	H6	107.956
C1	C2	H7	107.956	C1	O4	H11	107.562
C2	C1	O4	110.204	C2	C1	O5	126.974
C2	C3	H8	110.420	C2	C3	H9	110.226
C2	C3	H10	110.226	C3	C2	H6	111.489
C3	C2	H7	111.489	O4	C1	O5	122.822
H6	C2	H7	107.062	H8	C3	H9	108.990
H8	C3	H10	108.990	H9	C3	H10	107.935

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

using model chemistry: MP2/3-21G

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: MP2/3-21G

States and conformations

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