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	hartrees
Energy at 0K	-304.779798
Energy at 298.15K	-304.789295
HF Energy	-304.168977
Nuclear repulsion energy	236.201291

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3498	3328	17.01
2	A	3181	3026	28.24
3	A	3160	3007	2.16
4	A	3156	3002	27.04
5	A	3146	2992	10.78
6	A	3107	2955	16.69
7	A	3095	2945	3.59
8	A	3081	2931	17.30
9	A	1746	1661	142.62
10	A	1607	1528	5.79
11	A	1603	1525	7.03
12	A	1597	1519	1.81
13	A	1568	1491	4.71
14	A	1495	1422	3.45
15	A	1430	1361	1.26
16	A	1409	1340	24.38
17	A	1371	1304	13.19
18	A	1358	1292	1.67
19	A	1324	1260	0.12
20	A	1211	1152	52.63
21	A	1159	1103	12.85
22	A	1083	1030	174.71
23	A	1033	983	24.32
24	A	932	887	7.66
25	A	924	879	1.15
26	A	850	808	19.46
27	A	781	743	5.32
28	A	696	662	62.11
29	A	615	585	96.86
30	A	567	539	47.11
31	A	427	406	2.25
32	A	346	329	1.58
33	A	255	242	0.05
34	A	203	193	0.13
35	A	102	97	0.05
36	A	66	63	0.03

Atom	x (Å)	y (Å)	z (Å)
C1	1.196	-0.166	0.063
C2	-0.228	-0.525	0.439
C3	-1.260	0.290	-0.386
C4	-2.712	-0.077	0.004
O5	1.366	1.223	0.152
O6	2.113	-0.922	-0.280
H7	-0.352	-1.599	0.272
H8	-0.371	-0.311	1.505
H9	-1.102	0.092	-1.453
H10	-1.070	1.352	-0.212
H11	-3.429	0.506	-0.584
H12	-2.901	-1.141	-0.178
H13	-2.886	0.129	1.066
H14	2.305	1.428	-0.111

	C1	C2	C3	C4	O5	O6	H7	H8	H9	H10	H11	H12	H13	H14
C1		1.5161	2.5384	3.9103	1.4025	1.2366	2.1199	2.1346	2.7650	2.7421	4.7189	4.2188	4.2143	1.9495
C2	1.5161		1.5525	2.5621	2.3830	2.4806	1.0936	1.0968	2.1731	2.1587	3.5158	2.8118	2.8086	3.2453
C3	2.5384	1.5525		1.5478	2.8381	3.5859	2.1966	2.1740	1.0968	1.0929	2.1890	2.1875	2.1855	3.7524
C4	3.9103	2.5621	1.5478		4.2831	4.9071	2.8213	2.7916	2.1777	2.1879	1.0952	1.0957	1.0959	5.2396
O5	1.4025	2.3830	2.8381	4.2831		2.3124	3.3059	2.6832	3.1538	2.4666	4.9040	4.8894	4.4845	0.9966
O6	1.2366	2.4806	3.5859	4.9071	2.3124		2.6151	3.1190	3.5692	3.9130	5.7316	5.0201	5.2827	2.3640
H7	2.1199	1.0936	2.1966	2.8213	3.3059	2.6151		1.7831	2.5286	3.0758	3.8255	2.6287	3.1683	4.0458
H8	2.1346	1.0968	2.1740	2.7916	2.6832	3.1190	1.7831		3.0731	2.4912	3.7930	3.1501	2.5911	3.5769
H9	2.7650	2.1731	1.0968	2.1777	3.1538	3.5692	2.5286	3.0731		1.7689	2.5186	2.5264	3.0866	3.8981
H10	2.7421	2.1587	1.0929	2.1879	2.4666	3.9130	3.0758	2.4912	1.7689		2.5336	3.0938	2.5353	3.3777
H11	4.7189	3.5158	2.1890	1.0952	4.9040	5.7316	3.8255	3.7930	2.5186	2.5336		1.7773	1.7774	5.8272
H12	4.2188	2.8118	2.1875	1.0957	4.8894	5.0201	2.6287	3.1501	2.5264	3.0938	1.7773		1.7775	5.8060
H13	4.2143	2.8086	2.1855	1.0959	4.4845	5.2827	3.1683	2.5911	3.0866	2.5353	1.7774	1.7775		5.4790
H14	1.9495	3.2453	3.7524	5.2396	0.9966	2.3640	4.0458	3.5769	3.8981	3.3777	5.8272	5.8060	5.4790

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	111.623	C1	C2	H7	107.541
C1	C2	H8	108.500	C1	O5	H14	107.497
C2	C1	O5	109.411	C2	C1	O6	128.335
C2	C3	C4	111.462	C2	C3	H9	109.005
C2	C3	H10	108.113	C3	C2	H7	111.037
C3	C2	H8	109.082	C3	C4	H11	110.667
C3	C4	H12	110.515	C3	C4	H13	110.350
C4	C3	H9	109.686	C4	C3	H10	110.716
O5	C1	O6	122.254	H7	C2	H8	108.987
H9	C3	H10	107.761	H11	C4	H12	108.423
H11	C4	H13	108.420	H12	C4	H13	108.393

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

using model chemistry: MP2/3-21G*

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: MP2/3-21G*

States and conformations

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