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	hartrees
Energy at 0K	-58.416878
Energy at 298.15K	-58.426100
HF Energy	-57.869860
Nuclear repulsion energy	129.851542

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3637	3514	38.39
2	A	3161	3055	56.16
3	A	3136	3031	56.00
4	A	3133	3027	62.40
5	A	3115	3010	2.66
6	A	3075	2971	30.85
7	A	3055	2952	25.49
8	A	3027	2925	43.63
9	A	1656	1600	193.04
10	A	1532	1480	10.47
11	A	1530	1478	8.65
12	A	1522	1470	1.12
13	A	1507	1456	7.02
14	A	1454	1405	3.91
15	A	1416	1369	6.55
16	A	1358	1313	26.40
17	A	1343	1298	2.50
18	A	1316	1271	24.71
19	A	1273	1230	2.79
20	A	1191	1151	73.96
21	A	1132	1093	8.49
22	A	1080	1044	115.34
23	A	1049	1014	79.28
24	A	917	886	2.26
25	A	904	874	9.77
26	A	830	802	50.59
27	A	758	733	3.10
28	A	671	648	51.59
29	A	596	576	134.74
30	A	542	523	43.58
31	A	409	395	2.80
32	A	323	312	2.38
33	A	223	215	0.05
34	A	181	175	0.12
35	A	89	86	0.21
36	A	46	44	0.10

Atom	x (Å)	y (Å)	z (Å)
C1	1.199	-0.163	0.091
C2	-0.250	-0.353	0.567
C3	-1.294	0.218	-0.470
C4	-2.765	-0.043	0.008
O5	1.560	1.220	0.092
O6	2.014	-1.060	-0.285
H7	-0.407	-1.442	0.713
H8	-0.370	0.170	1.540
H9	-1.124	-0.270	-1.456
H10	-1.116	1.307	-0.596
H11	-3.495	0.362	-0.725
H12	-2.955	-1.133	0.121
H13	-2.951	0.444	0.990
H14	2.493	1.332	-0.227

	C1	C2	C3	C4	O5	O6	H7	H8	H9	H10	H11	H12	H13	H14
C1		1.5369	2.5829	3.9666	1.4297	1.2690	2.1445	2.1604	2.7933	2.8266	4.7929	4.2659	4.2892	2.0032
C2	1.5369		1.5778	2.5947	2.4446	2.5207	1.1094	1.1106	2.2055	2.2039	3.5647	2.8505	2.8474	3.3160
C3	2.5829	1.5778		1.5694	3.0758	3.5505	2.2224	2.2122	1.1132	1.1106	2.2208	2.2217	2.2205	3.9543
C4	3.9666	2.5947	1.5694		4.5064	4.8950	2.8306	2.8513	2.2109	2.2159	1.1108	1.1119	1.1119	5.4400
O5	1.4297	2.4446	3.0758	4.5064		2.3550	3.3671	2.6302	3.4382	2.7638	5.1916	5.0916	4.6642	0.9926
O6	1.2690	2.5207	3.5505	4.8950	2.3550		2.6467	3.2442	3.4415	3.9358	5.7064	4.9866	5.3424	2.4401
H7	2.1445	1.1094	2.2224	2.8306	3.3671	2.6467		1.8118	2.5676	3.1257	3.8541	2.6345	3.1786	4.1216
H8	2.1604	1.1106	2.2122	2.8513	2.6302	3.2442	1.8118		3.1205	2.5319	3.8642	3.2249	2.6535	3.5585
H9	2.7933	2.2055	1.1132	2.2109	3.4382	3.4415	2.5676	3.1205		1.7959	2.5601	2.5658	3.1355	4.1426
H10	2.8266	2.2039	1.1106	2.2159	2.7638	3.9358	3.1257	2.5319	1.7959		2.5634	3.1389	2.5752	3.6272
H11	4.7929	3.5647	2.2208	1.1108	5.1916	5.7064	3.8541	3.8642	2.5601	2.5634		1.8001	1.8010	6.0862
H12	4.2659	2.8505	2.2217	1.1119	5.0916	4.9866	2.6345	3.2249	2.5658	3.1389	1.8001		1.8010	5.9901
H13	4.2892	2.8474	2.2205	1.1119	4.6642	5.3424	3.1786	2.6535	3.1355	2.5752	1.8010	1.8010		5.6485
H14	2.0032	3.3160	3.9543	5.4400	0.9926	2.4401	4.1216	3.5585	4.1426	3.6272	6.0862	5.9901	5.6485

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	112.035	C1	C2	H7	107.157
C1	C2	H8	108.300	C1	O5	H14	110.280
C2	C1	O5	110.931	C2	C1	O6	127.635
C2	C3	C4	111.068	C2	C3	H9	108.864
C2	C3	H10	108.885	C3	C2	H7	110.371
C3	C2	H8	109.520	C3	C4	H11	110.750
C3	C4	H12	110.753	C3	C4	H13	110.664
C4	C3	H9	109.844	C4	C3	H10	110.380
O5	C1	O6	121.425	H7	C2	H8	109.387
H9	C3	H10	107.722	H11	C4	H12	108.164
H11	C4	H13	108.241	H12	C4	H13	108.170

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

using model chemistry: MP2/CEP-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/CEP-31G

States and conformations

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