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	hartrees
Energy at 0K	-307.213743
Energy at 298.15K	-307.205740
HF Energy	-305.876485
Nuclear repulsion energy	240.422263

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	4064	4064	96.20
2	A	3289	3289	42.49
3	A	3261	3261	43.09
4	A	3258	3258	50.40
5	A	3238	3238	1.57
6	A	3219	3219	20.96
7	A	3199	3199	15.24
8	A	3186	3186	35.02
9	A	2032	2032	454.40
10	A	1645	1645	4.17
11	A	1634	1634	6.73
12	A	1630	1630	0.88
13	A	1616	1616	8.97
14	A	1557	1557	7.96
15	A	1534	1534	32.90
16	A	1502	1502	58.89
17	A	1442	1442	1.42
18	A	1415	1415	1.67
19	A	1385	1385	92.54
20	A	1339	1339	131.08
21	A	1213	1213	11.80
22	A	1189	1189	68.35
23	A	1112	1112	1.49
24	A	985	985	0.19
25	A	970	970	4.44
26	A	948	948	6.40
27	A	815	815	48.18
28	A	795	795	30.06
29	A	678	678	99.28
30	A	628	628	67.94
31	A	462	462	3.90
32	A	353	353	1.69
33	A	263	263	0.03
34	A	202	202	0.09
35	A	99	99	0.35
36	A	45	45	0.50

Atom	x (Å)	y (Å)	z (Å)
C1	1.186	-0.145	0.076
C2	-0.232	-0.368	0.533
C3	-1.261	0.224	-0.444
C4	-2.697	-0.034	0.013
O5	1.527	1.143	0.107
O6	1.939	-0.984	-0.285
H7	-0.372	-1.439	0.636
H8	-0.350	0.091	1.512
H9	-1.109	-0.210	-1.431
H10	-1.090	1.294	-0.540
H11	-3.410	0.390	-0.691
H12	-2.901	-1.101	0.090
H13	-2.887	0.413	0.987
H14	2.418	1.228	-0.201

	C1	C2	C3	C4	O5	O6	H7	H8	H9	H10	H11	H12	H13	H14
C1		1.5072	2.5289	3.8857	1.3322	1.1841	2.1020	2.1164	2.7462	2.7623	4.6904	4.1980	4.2113	1.8645
C2	1.5072		1.5372	2.5413	2.3577	2.4006	1.0848	1.0882	2.1563	2.1561	3.4886	2.8027	2.8044	3.1797
C3	2.5289	1.5372		1.5292	2.9862	3.4242	2.1734	2.1619	1.0893	1.0870	2.1695	2.1753	2.1743	3.8211
C4	3.8857	2.5413	1.5292		4.3859	4.7420	2.7874	2.7883	2.1539	2.1566	1.0877	1.0885	1.0888	5.2731
O5	1.3322	2.3577	2.9862	4.3859		2.2023	3.2484	2.5695	3.3378	2.6999	5.0571	4.9639	4.5594	0.9472
O6	1.1841	2.4006	3.4242	4.7420	2.2023		2.5291	3.1026	3.3467	3.7987	5.5375	4.8562	5.1829	2.2647
H7	2.1020	1.0848	2.1734	2.7874	3.2484	2.5291		1.7632	2.5153	3.0605	3.7863	2.6096	3.1430	3.9493
H8	2.1164	1.0882	2.1619	2.7883	2.5695	3.1026	1.7632		3.0544	2.4912	3.7827	3.1545	2.6109	3.4482
H9	2.7462	2.1563	1.0893	2.1539	3.3378	3.3467	2.5153	3.0544		1.7479	2.4905	2.5144	3.0657	4.0021
H10	2.7623	2.1561	1.0870	2.1566	2.6999	3.7987	3.0605	2.4912	1.7479		2.4941	3.0675	2.5172	3.5254
H11	4.6904	3.4886	2.1695	1.0877	5.0571	5.5375	3.7863	3.7827	2.4905	2.4941		1.7581	1.7581	5.9084
H12	4.1980	2.8027	2.1753	1.0885	4.9639	4.8562	2.6096	3.1545	2.5144	3.0675	1.7581		1.7591	5.8139
H13	4.2113	2.8044	2.1743	1.0888	4.5594	5.1829	3.1430	2.6109	3.0657	2.5172	1.7581	1.7591		5.4975
H14	1.8645	3.1797	3.8211	5.2731	0.9472	2.2647	3.9493	3.4482	4.0021	3.5254	5.9084	5.8139	5.4975

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	112.333	C1	C2	H7	107.256
C1	C2	H8	108.181	C1	O5	H14	108.593
C2	C1	O5	112.130	C2	C1	O6	125.834
C2	C3	C4	111.949	C2	C3	H9	109.179
C2	C3	H10	109.295	C3	C2	H7	110.791
C3	C2	H8	109.682	C3	C4	H11	110.879
C3	C4	H12	111.285	C3	C4	H13	111.193
C4	C3	H9	109.539	C4	C3	H10	109.885
O5	C1	O6	122.034	H7	C2	H8	108.474
H9	C3	H10	106.858	H11	C4	H12	107.774
H11	C4	H13	107.762	H12	C4	H13	107.788

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

using model chemistry: CBS-Q

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: CBS-Q

States and conformations

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