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	hartrees
Energy at 0K	-306.357751
Energy at 298.15K	-306.367182
HF Energy	-305.730995
Nuclear repulsion energy	234.960886

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3593	3414	35.77
2	A	3150	2993	52.65
3	A	3145	2988	34.50
4	A	3136	2980	4.74
5	A	3117	2962	0.15
6	A	3076	2922	21.02
7	A	3062	2909	9.93
8	A	3056	2904	23.96
9	A	1711	1625	171.72
10	A	1581	1502	6.60
11	A	1574	1495	7.26
12	A	1570	1492	1.75
13	A	1550	1473	4.25
14	A	1487	1413	2.77
15	A	1432	1360	3.74
16	A	1390	1321	37.25
17	A	1366	1298	3.14
18	A	1353	1285	14.31
19	A	1311	1245	0.84
20	A	1211	1151	64.73
21	A	1154	1097	8.45
22	A	1099	1044	133.39
23	A	1065	1012	61.34
24	A	938	891	2.48
25	A	925	879	6.34
26	A	855	813	34.98
27	A	773	734	3.30
28	A	694	660	63.75
29	A	617	586	118.67
30	A	568	539	46.97
31	A	433	411	3.26
32	A	340	323	2.10
33	A	245	233	0.06
34	A	193	184	0.13
35	A	93	89	0.12
36	A	53	50	0.04

Atom	x (Å)	y (Å)	z (Å)
C1	1.189	-0.160	0.076
C2	-0.237	-0.430	0.494
C3	-1.281	0.268	-0.420
C4	-2.728	-0.063	0.008
O5	1.485	1.214	0.124
O6	2.038	-1.002	-0.286
H7	-0.377	-1.519	0.475
H8	-0.369	-0.083	1.530
H9	-1.118	-0.055	-1.460
H10	-1.110	1.353	-0.388
H11	-3.454	0.434	-0.650
H12	-2.912	-1.146	-0.038
H13	-2.916	0.272	1.038
H14	2.416	1.359	-0.162

	C1	C2	C3	C4	O5	O6	H7	H8	H9	H10	H11	H12	H13	H14
C1		1.5106	2.5554	3.9183	1.4057	1.2497	2.1112	2.1323	2.7729	2.7909	4.7361	4.2189	4.2385	1.9677
C2	1.5106		1.5531	2.5637	2.4093	2.4726	1.0980	1.1005	2.1754	2.1724	3.5212	2.8191	2.8223	3.2674
C3	2.5554	1.5531		1.5442	2.9733	3.5569	2.1938	2.1811	1.1014	1.0985	2.1908	2.1917	2.1906	3.8640
C4	3.9183	2.5637	1.5442		4.4033	4.8665	2.8047	2.8076	2.1783	2.1858	1.0984	1.0995	1.0996	5.3399
O5	1.4057	2.4093	2.9733	4.4033		2.3203	3.3249	2.6633	3.3005	2.6489	5.0592	4.9923	4.5928	0.9854
O6	1.2497	2.4726	3.5569	4.8665	2.3203		2.5838	3.1520	3.4981	3.9333	5.6882	4.9581	5.2842	2.3951
H7	2.1112	1.0980	2.1938	2.8047	3.3249	2.5838		1.7824	2.5363	3.0873	3.8141	2.6132	3.1583	4.0611
H8	2.1323	1.1005	2.1811	2.8076	2.6633	3.1520	1.7824		3.0822	2.5083	3.8126	3.1712	2.6188	3.5637
H9	2.7729	2.1754	1.1014	2.1783	3.3005	3.4981	2.5363	3.0822		1.7696	2.5200	2.5350	3.0952	4.0222
H10	2.7909	2.1724	1.0985	2.1858	2.6489	3.9333	3.0873	2.5083	1.7696		2.5307	3.1003	2.5429	3.5339
H11	4.7361	3.5212	2.1908	1.0984	5.0592	5.6882	3.8141	3.8126	2.5200	2.5307		1.7787	1.7791	5.9626
H12	4.2189	2.8191	2.1917	1.0995	4.9923	4.9581	2.6132	3.1712	2.5350	3.1003	1.7787		1.7800	5.8891
H13	4.2385	2.8223	2.1906	1.0996	4.5928	5.2842	3.1583	2.6188	3.0952	2.5429	1.7791	1.7800		5.5734
H14	1.9677	3.2674	3.8640	5.3399	0.9854	2.3951	4.0611	3.5637	4.0222	3.5339	5.9626	5.8891	5.5734

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	113.030	C1	C2	H7	106.990
C1	C2	H8	108.470	C1	O5	H14	109.506
C2	C1	O5	111.354	C2	C1	O6	126.951
C2	C3	C4	111.733	C2	C3	H9	108.878
C2	C3	H10	108.821	C3	C2	H7	110.513
C3	C2	H8	109.371	C3	C4	H11	110.869
C3	C4	H12	110.875	C3	C4	H13	110.782
C4	C3	H9	109.709	C4	C3	H10	110.472
O5	C1	O6	121.693	H7	C2	H8	108.330
H9	C3	H10	107.102	H11	C4	H12	108.048
H11	C4	H13	108.075	H12	C4	H13	108.078

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

using model chemistry: MP2=FULL/6-31G

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=FULL/6-31G

States and conformations

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