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	hartrees
Energy at 0K	-58.855434
Energy at 298.15K	-58.864781
HF Energy	-58.021965
Nuclear repulsion energy	132.398768

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3720	3531	65.57
2	A	3208	3046	31.00
3	A	3186	3025	41.10
4	A	3183	3022	36.26
5	A	3163	3003	0.37
6	A	3124	2966	21.16
7	A	3104	2947	17.56
8	A	3083	2927	31.00
9	A	1817	1725	290.80
10	A	1533	1455	10.69
11	A	1529	1452	9.97
12	A	1520	1444	1.35
13	A	1512	1436	9.20
14	A	1448	1375	7.51
15	A	1419	1347	33.70
16	A	1386	1316	39.08
17	A	1347	1279	6.25
18	A	1300	1234	0.09
19	A	1282	1218	20.71
20	A	1222	1160	163.55
21	A	1136	1078	7.27
22	A	1102	1046	81.46
23	A	1082	1028	11.40
24	A	936	888	4.89
25	A	902	857	0.49
26	A	884	839	15.16
27	A	756	717	7.20
28	A	735	698	38.32
29	A	633	601	97.65
30	A	580	551	46.82
31	A	425	403	2.86
32	A	330	313	1.38
33	A	244	232	0.03
34	A	183	174	0.05
35	A	93	88	0.28
36	A	30	29	0.50

Atom	x (Å)	y (Å)	z (Å)
C1	1.177	-0.135	0.113
C2	-0.248	-0.181	0.640
C3	-1.259	0.089	-0.506
C4	-2.715	0.003	0.005
O5	1.629	1.162	0.003
O6	1.862	-1.102	-0.227
H7	-0.412	-1.185	1.065
H8	-0.366	0.579	1.431
H9	-1.096	-0.654	-1.308
H10	-1.064	1.089	-0.931
H11	-3.430	0.195	-0.815
H12	-2.926	-0.999	0.418
H13	-2.894	0.748	0.801
H14	2.533	1.090	-0.378

	C1	C2	C3	C4	O5	O6	H7	H8	H9	H10	H11	H12	H13	H14
C1		1.5201	2.5230	3.8955	1.3773	1.2331	2.1288	2.1515	2.7306	2.7584	4.7108	4.2043	4.2223	1.8919
C2	1.5201		1.5516	2.5538	2.3936	2.4603	1.1023	1.1033	2.1770	2.1788	3.5188	2.8093	2.8092	3.2224
C3	2.5230	1.5516		1.5448	3.1223	3.3517	2.1921	2.1886	1.1055	1.1046	2.1954	2.1948	2.1946	3.9240
C4	3.8955	2.5538	1.5448		4.4951	4.7137	2.7998	2.8078	2.1849	2.1862	1.1043	1.1049	1.1050	5.3725
O5	1.3773	2.3936	3.1223	4.4951		2.2875	3.2856	2.5214	3.5274	2.8511	5.2146	5.0585	4.6114	0.9838
O6	1.2331	2.4603	3.3517	4.7137	2.2875		2.6162	3.2468	3.1810	3.7224	5.4800	4.8324	5.2059	2.2975
H7	2.1288	1.1023	2.1921	2.7998	3.2856	2.6162		1.8024	2.5259	3.0951	3.8140	2.6030	3.1574	3.9906
H8	2.1515	1.1033	2.1886	2.8078	2.5214	3.2468	1.8024		3.0918	2.5157	3.8182	3.1737	2.6112	3.4549
H9	2.7306	2.1770	1.1055	2.1849	3.5274	3.1810	2.5259	3.0918		1.7839	2.5320	2.5393	3.1059	4.1328
H10	2.7584	2.1788	1.1046	2.1862	2.8511	3.7224	3.0951	2.5157	1.7839		2.5318	3.1065	2.5430	3.6392
H11	4.7108	3.5188	2.1954	1.1043	5.2146	5.4800	3.8140	3.8182	2.5320	2.5318		1.7891	1.7893	6.0454
H12	4.2043	2.8093	2.1948	1.1049	5.0585	4.8324	2.6030	3.1737	2.5393	3.1065	1.7891		1.7888	5.8992
H13	4.2223	2.8092	2.1946	1.1050	4.6114	5.2059	3.1574	2.6112	3.1059	2.5430	1.7893	1.7888		5.5643
H14	1.8919	3.2224	3.9240	5.3725	0.9838	2.2975	3.9906	3.4549	4.1328	3.6392	6.0454	5.8992	5.5643

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	110.443	C1	C2	H7	107.469
C1	C2	H8	109.164	C1	O5	H14	105.289
C2	C1	O5	111.314	C2	C1	O6	126.345
C2	C3	C4	111.130	C2	C3	H9	108.879
C2	C3	H10	109.067	C3	C2	H7	110.227
C3	C2	H8	109.895	C3	C4	H11	110.843
C3	C4	H12	110.750	C3	C4	H13	110.732
C4	C3	H9	109.946	C4	C3	H10	110.101
O5	C1	O6	122.301	H7	C2	H8	109.600
H9	C3	H10	107.638	H11	C4	H12	108.159
H11	C4	H13	108.168	H12	C4	H13	108.081

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

using model chemistry: MP2/CEP-31G*

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: MP2/CEP-31G*

States and conformations

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