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	hartrees
Energy at 0K	-306.371139
Energy at 298.15K	-306.380589
HF Energy	-305.733825
Nuclear repulsion energy	235.695577

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3689	3689	35.04
2	A	3132	3132	49.00
3	A	3125	3125	34.93
4	A	3117	3117	14.75
5	A	3097	3097	0.62
6	A	3063	3063	20.78
7	A	3048	3048	8.94
8	A	3045	3045	26.06
9	A	1800	1800	240.94
10	A	1576	1576	6.98
11	A	1566	1566	7.60
12	A	1563	1563	2.13
13	A	1546	1546	4.36
14	A	1486	1486	3.17
15	A	1437	1437	4.59
16	A	1417	1417	49.26
17	A	1365	1365	0.85
18	A	1359	1359	2.02
19	A	1311	1311	2.35
20	A	1231	1231	117.24
21	A	1154	1154	11.39
22	A	1117	1117	131.71
23	A	1069	1069	18.35
24	A	942	942	2.32
25	A	925	925	3.29
26	A	875	875	17.38
27	A	771	771	4.55
28	A	700	700	60.50
29	A	615	615	125.16
30	A	574	574	66.20
31	A	436	436	4.02
32	A	340	340	2.30
33	A	241	241	0.04
34	A	193	193	0.14
35	A	92	92	0.17
36	A	55	55	0.12

Atom	x (Å)	y (Å)	z (Å)
C1	1.191	-0.159	0.071
C2	-0.236	-0.443	0.481
C3	-1.281	0.285	-0.408
C4	-2.728	-0.064	0.008
O5	1.489	1.199	0.130
O6	2.031	-0.990	-0.287
H7	-0.374	-1.532	0.429
H8	-0.363	-0.128	1.530
H9	-1.117	-0.002	-1.460
H10	-1.113	1.370	-0.340
H11	-3.455	0.455	-0.633
H12	-2.910	-1.146	-0.076
H13	-2.917	0.234	1.051
H14	2.414	1.358	-0.145

	C1	C2	C3	C4	O5	O6	H7	H8	H9	H10	H11	H12	H13	H14
C1		1.5112	2.5566	3.9202	1.3914	1.2345	2.1123	2.1316	2.7742	2.7952	4.7388	4.2203	4.2412	1.9612
C2	1.5112		1.5541	2.5651	2.4074	2.4547	1.0986	1.1019	2.1778	2.1753	3.5234	2.8208	2.8237	3.2651
C3	2.5566	1.5541		1.5455	2.9663	3.5506	2.1967	2.1838	1.1025	1.0995	2.1923	2.1938	2.1928	3.8569
C4	3.9202	2.5651	1.5455		4.4039	4.8567	2.8058	2.8127	2.1801	2.1871	1.0995	1.1009	1.1010	5.3374
O5	1.3914	2.4074	2.9663	4.4039		2.2927	3.3194	2.6745	3.2809	2.6501	5.0579	4.9895	4.6038	0.9780
O6	1.2345	2.4547	3.5506	4.8567	2.2927		2.5671	3.1263	3.5018	3.9310	5.6834	4.9475	5.2695	2.3835
H7	2.1123	1.0986	2.1967	2.8058	3.3194	2.5671		1.7836	2.5424	3.0914	3.8169	2.6141	3.1578	4.0569
H8	2.1316	1.1019	2.1838	2.8127	2.6745	3.1263	1.7836		3.0862	2.5104	3.8180	3.1780	2.6234	3.5679
H9	2.7742	2.1778	1.1025	2.1801	3.2809	3.5018	2.5424	3.0862		1.7707	2.5215	2.5376	3.0983	4.0064
H10	2.7952	2.1753	1.0995	2.1871	2.6501	3.9310	3.0914	2.5104	1.7707		2.5312	3.1029	2.5451	3.5327
H11	4.7388	3.5234	2.1923	1.0995	5.0579	5.6834	3.8169	3.8180	2.5215	2.5312		1.7811	1.7813	5.9584
H12	4.2203	2.8208	2.1938	1.1009	4.9895	4.9475	2.6141	3.1780	2.5376	3.1029	1.7811		1.7821	5.8843
H13	4.2412	2.8237	2.1928	1.1010	4.6038	5.2695	3.1578	2.6234	3.0983	2.5451	1.7813	1.7821		5.5782
H14	1.9612	3.2651	3.8569	5.3374	0.9780	2.3835	4.0569	3.5679	4.0064	3.5327	5.9584	5.8843	5.5782

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	113.022	C1	C2	H7	107.009
C1	C2	H8	108.301	C1	O5	H14	110.514
C2	C1	O5	112.007	C2	C1	O6	126.465
C2	C3	C4	111.695	C2	C3	H9	108.935
C2	C3	H10	108.911	C3	C2	H7	110.633
C3	C2	H8	109.434	C3	C4	H11	110.833
C3	C4	H12	110.874	C3	C4	H13	110.778
C4	C3	H9	109.700	C4	C3	H10	110.423
O5	C1	O6	121.527	H7	C2	H8	108.297
H9	C3	H10	107.051	H11	C4	H12	108.086
H11	C4	H13	108.094	H12	C4	H13	108.062

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

using model chemistry: MP3=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: MP3=FULL/6-31G

States and conformations

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