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	hartrees
Energy at 0K	-306.884290
Energy at 298.15K	-306.893781
HF Energy	-305.906576
Nuclear repulsion energy	238.588587

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3856	3626	68.79
2	A	3184	2994	32.70
3	A	3178	2988	26.61
4	A	3170	2981	21.73
5	A	3146	2958	0.54
6	A	3108	2922	20.86
7	A	3096	2911	8.77
8	A	3086	2901	26.20
9	A	1931	1816	313.51
10	A	1514	1424	5.67
11	A	1503	1414	7.47
12	A	1500	1411	1.18
13	A	1484	1395	13.67
14	A	1441	1355	56.88
15	A	1428	1343	11.14
16	A	1401	1317	7.85
17	A	1336	1256	1.41
18	A	1302	1225	1.38
19	A	1286	1209	100.51
20	A	1245	1170	92.45
21	A	1137	1069	3.69
22	A	1108	1042	42.24
23	A	1086	1021	10.74
24	A	950	893	2.22
25	A	905	851	1.88
26	A	889	836	6.09
27	A	764	719	14.52
28	A	735	691	34.20
29	A	630	592	73.35
30	A	586	551	53.93
31	A	438	412	2.43
32	A	337	317	1.17
33	A	256	240	0.02
34	A	191	179	0.02
35	A	96	91	0.20
36	A	44	41	0.21

Atom	x (Å)	y (Å)	z (Å)
C1	1.192	-0.147	0.070
C2	-0.233	-0.429	0.491
C3	-1.265	0.264	-0.416
C4	-2.702	-0.055	0.008
O5	1.477	1.175	0.129
O6	1.998	-0.967	-0.287
H7	-0.368	-1.521	0.480
H8	-0.359	-0.074	1.529
H9	-1.103	-0.060	-1.459
H10	-1.094	1.352	-0.390
H11	-3.430	0.445	-0.651
H12	-2.896	-1.140	-0.034
H13	-2.892	0.282	1.041
H14	2.394	1.254	-0.168

	C1	C2	C3	C4	O5	O6	H7	H8	H9	H10	H11	H12	H13	H14
C1		1.5125	2.5385	3.8965	1.3534	1.2033	2.1185	2.1311	2.7598	2.7724	4.7160	4.2086	4.2206	1.8612
C2	1.5125		1.5387	2.5443	2.3716	2.4228	1.0999	1.1041	2.1674	2.1656	3.5062	2.8062	2.8075	3.1887
C3	2.5385	1.5387		1.5318	2.9401	3.4896	2.1886	2.1713	1.1047	1.1024	2.1856	2.1854	2.1841	3.7991
C4	3.8965	2.5443	1.5318		4.3580	4.7971	2.7969	2.7936	2.1701	2.1739	1.1016	1.1031	1.1033	5.2651
O5	1.3534	2.3716	2.9401	4.3580		2.2429	3.2847	2.6246	3.2717	2.6282	5.0220	4.9503	4.5517	0.9679
O6	1.2033	2.4228	3.4896	4.7971	2.2429		2.5478	3.1067	3.4370	3.8660	5.6206	4.9036	5.2190	2.2588
H7	2.1185	1.0999	2.1886	2.7969	3.2847	2.5478		1.7869	2.5365	3.0881	3.8108	2.6079	3.1524	3.9681
H8	2.1311	1.1041	2.1713	2.7936	2.6246	3.1067	1.7869		3.0793	2.5007	3.8016	3.1643	2.6040	3.4965
H9	2.7598	2.1674	1.1047	2.1701	3.2717	3.4370	2.5365	3.0793		1.7717	2.5147	2.5323	3.0935	3.9530
H10	2.7724	2.1656	1.1024	2.1739	2.6282	3.8660	3.0881	2.5007	1.7717		2.5202	3.0963	2.5354	3.4964
H11	4.7160	3.5062	2.1856	1.1016	5.0220	5.6206	3.8108	3.8016	2.5147	2.5202		1.7830	1.7830	5.9004
H12	4.2086	2.8062	2.1854	1.1031	4.9503	4.9036	2.6079	3.1643	2.5323	3.0963	1.7830		1.7824	5.8084
H13	4.2206	2.8075	2.1841	1.1033	4.5517	5.2190	3.1524	2.6040	3.0935	2.5354	1.7830	1.7824		5.5098
H14	1.8612	3.1887	3.7991	5.2651	0.9679	2.2588	3.9681	3.4965	3.9530	3.4964	5.9004	5.8084	5.5098

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	112.604	C1	C2	H7	107.323
C1	C2	H8	108.053	C1	O5	H14	105.394
C2	C1	O5	111.570	C2	C1	O6	125.904
C2	C3	C4	111.921	C2	C3	H9	109.056
C2	C3	H10	109.045	C3	C2	H7	110.994
C3	C2	H8	109.392	C3	C4	H11	111.130
C3	C4	H12	111.027	C3	C4	H13	110.911
C4	C3	H9	109.733	C4	C3	H10	110.163
O5	C1	O6	122.524	H7	C2	H8	108.337
H9	C3	H10	106.780	H11	C4	H12	107.940
H11	C4	H13	107.926	H12	C4	H13	107.763

All results from a given calculation for C₄H₈O₂ (Butanoic acid)

using model chemistry: MP3=FULL/cc-pVDZ

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 C4H8O2 (Butanoic acid)

using model chemistry: MP3=FULL/cc-pVDZ

States and conformations

All results from a given calculation for C₄H₈O₂ (Butanoic acid)