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	hartrees
Energy at 0K	-306.833141
Energy at 298.15K	-306.842595
HF Energy	-305.904631
Nuclear repulsion energy	238.211471

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3762	3584	69.91
2	A	3184	3033	36.10
3	A	3181	3030	23.27
4	A	3175	3024	8.13
5	A	3148	2998	1.04
6	A	3102	2955	19.05
7	A	3090	2943	9.01
8	A	3080	2933	24.48
9	A	1848	1760	247.30
10	A	1505	1434	5.46
11	A	1497	1426	7.65
12	A	1492	1421	1.49
13	A	1472	1402	10.51
14	A	1416	1349	17.15
15	A	1405	1338	49.83
16	A	1379	1313	12.40
17	A	1327	1264	2.08
18	A	1285	1224	0.58
19	A	1262	1202	27.11
20	A	1218	1160	136.97
21	A	1130	1076	5.66
22	A	1096	1044	28.34
23	A	1081	1030	42.54
24	A	942	897	3.29
25	A	897	854	1.32
26	A	881	839	9.95
27	A	762	726	9.35
28	A	731	696	37.23
29	A	626	596	72.64
30	A	582	554	45.60
31	A	433	413	2.02
32	A	335	319	1.03
33	A	260	248	0.03
34	A	189	180	0.02
35	A	97	93	0.17
36	A	40	38	0.14

Atom	x (Å)	y (Å)	z (Å)
C1	1.187	-0.147	0.078
C2	-0.235	-0.402	0.519
C3	-1.259	0.237	-0.432
C4	-2.697	-0.049	0.005
O5	1.480	1.183	0.118
O6	1.988	-0.984	-0.287
H7	-0.374	-1.493	0.570
H8	-0.366	0.017	1.533
H9	-1.094	-0.152	-1.453
H10	-1.081	1.325	-0.471
H11	-3.423	0.411	-0.685
H12	-2.893	-1.134	0.030
H13	-2.888	0.351	1.015
H14	2.399	1.241	-0.202

	C1	C2	C3	C4	O5	O6	H7	H8	H9	H10	H11	H12	H13	H14
C1		1.5105	2.5286	3.8861	1.3622	1.2150	2.1195	2.1346	2.7475	2.7597	4.7061	4.1989	4.2108	1.8630
C2	1.5105		1.5369	2.5398	2.3690	2.4352	1.1011	1.1045	2.1657	2.1632	3.5034	2.8009	2.8018	3.1862
C3	2.5286	1.5369		1.5294	2.9495	3.4724	2.1860	2.1692	1.1054	1.1033	2.1852	2.1828	2.1815	3.8000
C4	3.8861	2.5398	1.5294		4.3560	4.7862	2.7922	2.7873	2.1696	2.1738	1.1022	1.1033	1.1035	5.2602
O5	1.3622	2.3690	2.9495	4.3560		2.2628	3.2867	2.6023	3.2972	2.6317	5.0273	4.9501	4.5356	0.9745
O6	1.2150	2.4352	3.4724	4.7862	2.2628		2.5640	3.1397	3.3984	3.8456	5.6020	4.8939	5.2202	2.2642
H7	2.1195	1.1011	2.1860	2.7922	3.2867	2.5640		1.7903	2.5316	3.0861	3.8068	2.6010	3.1485	3.9695
H8	2.1346	1.1045	2.1692	2.7873	2.6023	3.1397	1.7903		3.0779	2.4979	3.7966	3.1575	2.5952	3.4861
H9	2.7475	2.1657	1.1054	2.1696	3.2972	3.3984	2.5316	3.0779		1.7736	2.5165	2.5307	3.0928	3.9623
H10	2.7597	2.1632	1.1033	2.1738	2.6317	3.8456	3.0861	2.4979	1.7736		2.5225	3.0960	2.5342	3.4913
H11	4.7061	3.5034	2.1852	1.1022	5.0273	5.6020	3.8068	3.7966	2.5165	2.5225		1.7835	1.7836	5.8999
H12	4.1989	2.8009	2.1828	1.1033	4.9501	4.8939	2.6010	3.1575	2.5307	3.0960	1.7835		1.7829	5.8052
H13	4.2108	2.8018	2.1815	1.1035	4.5356	5.2202	3.1485	2.5952	3.0928	2.5342	1.7836	1.7829		5.4969
H14	1.8630	3.1862	3.8000	5.2602	0.9745	2.2642	3.9695	3.4861	3.9623	3.4913	5.8999	5.8052	5.4969

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	112.148	C1	C2	H7	107.465
C1	C2	H8	108.429	C1	O5	H14	104.516
C2	C1	O5	111.003	C2	C1	O6	126.289
C2	C3	C4	111.844	C2	C3	H9	109.004
C2	C3	H10	108.932	C3	C2	H7	110.843
C3	C2	H8	109.329	C3	C4	H11	111.233
C3	C4	H12	110.974	C3	C4	H13	110.860
C4	C3	H9	109.814	C4	C3	H10	110.270
O5	C1	O6	122.700	H7	C2	H8	108.525
H9	C3	H10	106.837	H11	C4	H12	107.925
H11	C4	H13	107.921	H12	C4	H13	107.782

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

using model chemistry: MP2/cc-pVDZ

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/cc-pVDZ

States and conformations

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