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	hartrees
Energy at 0K	-307.480796
Energy at 298.15K	-307.472668
HF Energy	-305.879847
Nuclear repulsion energy	240.431614

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	4055	3821	113.57
2	A	3299	3108	40.86
3	A	3271	3082	45.56
4	A	3268	3080	52.41
5	A	3248	3060	1.10
6	A	3230	3044	21.88
7	A	3211	3026	13.73
8	A	3201	3016	35.47
9	A	2035	1917	431.82
10	A	1655	1559	3.78
11	A	1644	1549	6.64
12	A	1640	1545	0.90
13	A	1627	1533	8.61
14	A	1569	1478	4.74
15	A	1544	1455	33.53
16	A	1512	1424	66.68
17	A	1449	1365	1.66
18	A	1427	1344	3.44
19	A	1386	1306	54.70
20	A	1341	1264	150.70
21	A	1220	1149	11.14
22	A	1196	1127	72.59
23	A	1116	1051	1.48
24	A	990	933	0.08
25	A	974	918	3.17
26	A	953	898	6.13
27	A	816	769	23.29
28	A	794	748	44.54
29	A	669	631	92.76
30	A	621	586	71.82
31	A	463	436	3.82
32	A	354	334	1.79
33	A	262	247	0.03
34	A	202	191	0.12
35	A	98	92	0.39
36	A	44	41	0.57

Atom	x (Å)	y (Å)	z (Å)
C1	1.177	-0.147	0.085
C2	-0.237	-0.371	0.540
C3	-1.253	0.224	-0.440
C4	-2.686	-0.045	0.002
O5	1.496	1.178	0.105
O6	1.961	-1.002	-0.287
H7	-0.379	-1.450	0.640
H8	-0.365	0.090	1.526
H9	-1.084	-0.206	-1.434
H10	-1.078	1.300	-0.525
H11	-3.403	0.383	-0.705
H12	-2.881	-1.119	0.069
H13	-2.881	0.395	0.985
H14	2.416	1.228	-0.226

	C1	C2	C3	C4	O5	O6	H7	H8	H9	H10	H11	H12	H13	H14
C1		1.5021	2.5131	3.8653	1.3624	1.2180	2.1041	2.1233	2.7242	2.7481	4.6769	4.1723	4.1910	1.8773
C2	1.5021		1.5319	2.5289	2.3645	2.4315	1.0927	1.0955	2.1545	2.1533	3.4840	2.7875	2.7878	3.1916
C3	2.5131	1.5319		1.5239	2.9601	3.4428	2.1752	2.1616	1.0959	1.0938	2.1717	2.1709	2.1700	3.8102
C4	3.8653	2.5289	1.5239		4.3585	4.7533	2.7756	2.7806	2.1574	2.1616	1.0932	1.0938	1.0940	5.2641
O5	1.3624	2.3645	2.9601	4.3585		2.2623	3.2720	2.5818	3.3074	2.6532	5.0282	4.9427	4.5323	0.9796
O6	1.2180	2.4315	3.4428	4.7533	2.2623		2.5566	3.1439	3.3496	3.8200	5.5548	4.8559	5.1966	2.2767
H7	2.1041	1.0927	2.1752	2.7756	3.2720	2.5566		1.7759	2.5191	3.0677	3.7825	2.5870	3.1267	3.9672
H8	2.1233	1.0955	2.1616	2.7806	2.5818	3.1439	1.7759		3.0604	2.4866	3.7804	3.1486	2.5915	3.4788
H9	2.7242	2.1545	1.0959	2.1574	3.3074	3.3496	2.5191	3.0604		1.7593	2.5007	2.5140	3.0721	3.9710
H10	2.7481	2.1533	1.0938	2.1616	2.6532	3.8200	3.0677	2.4866	1.7593		2.5052	3.0749	2.5196	3.5083
H11	4.6769	3.4840	2.1717	1.0932	5.0282	5.5548	3.7825	3.7804	2.5007	2.5052		1.7683	1.7685	5.8995
H12	4.1723	2.7875	2.1709	1.0938	4.9427	4.8559	2.5870	3.1486	2.5140	3.0749	1.7683		1.7689	5.8014
H13	4.1910	2.7878	2.1700	1.0940	4.5323	5.1966	3.1267	2.5915	3.0721	2.5196	1.7685	1.7689		5.4973
H14	1.8773	3.1916	3.8102	5.2641	0.9796	2.2767	3.9672	3.4788	3.9710	3.5083	5.8995	5.8014	5.4973

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	112.340	C1	C2	H7	107.253
C1	C2	H8	108.247	C1	O5	H14	108.051
C2	C1	O5	112.285	C2	C1	O6	125.667
C2	C3	C4	111.871	C2	C3	H9	109.173
C2	C3	H10	109.342	C3	C2	H7	110.740
C3	C2	H8	109.655	C3	C4	H11	110.859
C3	C4	H12	111.249	C3	C4	H13	111.166
C4	C3	H9	109.543	C4	C3	H10	109.868
O5	C1	O6	122.046	H7	C2	H8	108.485
H9	C3	H10	106.915	H11	C4	H12	107.795
H11	C4	H13	107.780	H12	C4	H13	107.836

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

using model chemistry: G3

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: G3

States and conformations

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