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	hartrees
Energy at 0K	-307.000072
Energy at 298.15K	-307.009560
HF Energy	-305.989263
Nuclear repulsion energy	239.704743

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3882	3631	68.02
2	A	3186	2979	27.99
3	A	3169	2964	31.10
4	A	3164	2959	30.56
5	A	3143	2939	0.19
6	A	3114	2912	20.47
7	A	3098	2898	10.06
8	A	3086	2886	23.46
9	A	1906	1782	345.10
10	A	1537	1437	7.43
11	A	1530	1431	7.04
12	A	1522	1424	1.61
13	A	1508	1410	7.14
14	A	1455	1361	5.65
15	A	1437	1344	19.72
16	A	1415	1324	44.21
17	A	1356	1268	1.23
18	A	1331	1245	1.23
19	A	1299	1215	52.55
20	A	1253	1172	137.72
21	A	1147	1073	3.34
22	A	1117	1044	77.93
23	A	1079	1009	5.10
24	A	947	886	1.74
25	A	915	856	1.37
26	A	897	839	8.78
27	A	767	718	9.49
28	A	731	684	30.20
29	A	627	587	62.11
30	A	572	535	80.06
31	A	445	416	2.81
32	A	338	316	1.38
33	A	246	230	0.02
34	A	189	177	0.10
35	A	94	88	0.22
36	A	46	43	0.29

Atom	x (Å)	y (Å)	z (Å)
C1	1.181	-0.150	0.076
C2	-0.236	-0.390	0.519
C3	-1.257	0.269	-0.415
C4	-2.690	-0.057	-0.002
O5	1.508	1.161	0.115
O6	1.952	-0.991	-0.292
H7	-0.383	-1.468	0.548
H8	-0.354	0.005	1.530
H9	-1.080	-0.080	-1.435
H10	-1.101	1.348	-0.413
H11	-3.407	0.419	-0.670
H12	-2.867	-1.133	-0.027
H13	-2.889	0.294	1.012
H14	2.417	1.227	-0.196

	C1	C2	C3	C4	O5	O6	H7	H8	H9	H10	H11	H12	H13	H14
C1		1.5047	2.5228	3.8732	1.3515	1.1984	2.0996	2.1205	2.7206	2.7739	4.6837	4.1675	4.2006	1.8699
C2	1.5047		1.5332	2.5305	2.3685	2.4100	1.0881	1.0919	2.1511	2.1538	3.4823	2.7880	2.7839	3.1884
C3	2.5228	1.5332		1.5259	2.9532	3.4501	2.1696	2.1613	1.0923	1.0900	2.1702	2.1695	2.1681	3.8034
C4	3.8732	2.5305	1.5259		4.3719	4.7439	2.7592	2.7946	2.1549	2.1597	1.0898	1.0910	1.0913	5.2691
O5	1.3515	2.3685	2.9532	4.3719		2.2345	3.2671	2.6084	3.2617	2.6685	5.0322	4.9416	4.5706	0.9632
O6	1.1984	2.4100	3.4501	4.7439	2.2345		2.5275	3.1034	3.3659	3.8481	5.5545	4.8287	5.1760	2.2681
H7	2.0996	1.0881	2.1696	2.7592	3.2671	2.5275		1.7710	2.5181	3.0605	3.7665	2.5714	3.0981	3.9570
H8	2.1205	1.0919	2.1613	2.7946	2.6084	3.1034	1.7710		3.0540	2.4777	3.7868	3.1687	2.6041	3.4856
H9	2.7206	2.1511	1.0923	2.1549	3.2617	3.3659	2.5181	3.0540		1.7560	2.4995	2.5061	3.0659	3.9336
H10	2.7739	2.1538	1.0900	2.1597	2.6685	3.8481	3.0605	2.4777	1.7560		2.4992	3.0692	2.5178	3.5270
H11	4.6837	3.4823	2.1702	1.0898	5.0322	5.5545	3.7665	3.7868	2.4995	2.4992		1.7642	1.7651	5.8990
H12	4.1675	2.7880	2.1695	1.0910	4.9416	4.8287	2.5714	3.1687	2.5061	3.0692	1.7642		1.7653	5.7895
H13	4.2006	2.7839	2.1681	1.0913	4.5706	5.1760	3.0981	2.6041	3.0659	2.5178	1.7651	1.7653		5.5215
H14	1.8699	3.1884	3.8034	5.2691	0.9632	2.2681	3.9570	3.4856	3.9336	3.5270	5.8990	5.7895	5.5215

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	112.289	C1	C2	H7	107.053
C1	C2	H8	108.457	C1	O5	H14	106.570
C2	C1	O5	111.937	C2	C1	O6	125.766
C2	C3	C4	111.629	C2	C3	H9	108.873
C2	C3	H10	109.216	C3	C2	H7	110.579
C3	C2	H8	109.693	C3	C4	H11	111.031
C3	C4	H12	110.899	C3	C4	H13	110.779
C4	C3	H9	109.675	C4	C3	H10	110.181
O5	C1	O6	122.289	H7	C2	H8	108.661
H9	C3	H10	107.153	H11	C4	H12	107.984
H11	C4	H13	108.047	H12	C4	H13	107.975

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

using model chemistry: MP3/TZVP

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/TZVP

States and conformations

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