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	hartrees
Energy at 0K	-304.811607
Energy at 298.15K	-304.821092
HF Energy	-304.170354
Nuclear repulsion energy	236.377737

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3539	3441	10.81
2	A	3132	3046	28.33
3	A	3112	3026	2.57
4	A	3103	3017	29.99
5	A	3092	3006	13.86
6	A	3061	2977	15.14
7	A	3048	2964	5.30
8	A	3034	2950	18.17
9	A	1824	1774	173.30
10	A	1586	1542	6.46
11	A	1582	1538	7.10
12	A	1578	1534	1.57
13	A	1551	1508	4.71
14	A	1481	1440	3.72
15	A	1424	1385	3.52
16	A	1415	1376	28.98
17	A	1370	1332	1.57
18	A	1352	1315	1.50
19	A	1315	1278	2.86
20	A	1214	1180	87.60
21	A	1151	1119	15.50
22	A	1094	1064	157.14
23	A	1025	997	10.90
24	A	926	900	4.60
25	A	917	892	0.88
26	A	856	832	13.27
27	A	773	751	6.02
28	A	693	673	54.39
29	A	607	590	100.19
30	A	567	551	62.68
31	A	426	414	2.56
32	A	344	334	1.69
33	A	248	241	0.04
34	A	202	196	0.11
35	A	101	98	0.06
36	A	67	66	0.04

Atom	x (Å)	y (Å)	z (Å)
C1	1.199	-0.166	0.061
C2	-0.227	-0.526	0.439
C3	-1.260	0.295	-0.385
C4	-2.717	-0.073	0.004
O5	1.379	1.214	0.154
O6	2.101	-0.920	-0.282
H7	-0.353	-1.602	0.269
H8	-0.367	-0.313	1.509
H9	-1.103	0.099	-1.456
H10	-1.071	1.360	-0.209
H11	-3.435	0.515	-0.583
H12	-2.908	-1.140	-0.180
H13	-2.891	0.130	1.071
H14	2.313	1.425	-0.108

	C1	C2	C3	C4	O5	O6	H7	H8	H9	H10	H11	H12	H13	H14
C1		1.5181	2.5417	3.9173	1.3948	1.2250	2.1252	2.1379	2.7696	2.7486	4.7283	4.2275	4.2232	1.9497
C2	1.5181		1.5560	2.5681	2.3850	2.4686	1.0966	1.1002	2.1793	2.1658	3.5248	2.8192	2.8160	3.2492
C3	2.5417	1.5560		1.5518	2.8466	3.5761	2.2022	2.1801	1.1004	1.0964	2.1950	2.1941	2.1920	3.7585
C4	3.9173	2.5681	1.5518		4.2961	4.9004	2.8272	2.8001	2.1837	2.1930	1.0988	1.0995	1.0997	5.2498
O5	1.3948	2.3850	2.8466	4.2961		2.2948	3.3086	2.6866	3.1615	2.4811	4.9206	4.9021	4.5000	0.9929
O6	1.2250	2.4686	3.5761	4.9004	2.2948		2.6069	3.1096	3.5615	3.9075	5.7276	5.0148	5.2780	2.3609
H7	2.1252	1.0966	2.2022	2.8272	3.3086	2.6069		1.7884	2.5367	3.0854	3.8350	2.6342	3.1753	4.0520
H8	2.1379	1.1002	2.1801	2.8001	2.6866	3.1096	1.7884		3.0825	2.4989	3.8044	3.1608	2.5994	3.5805
H9	2.7696	2.1793	1.1004	2.1837	3.1615	3.5615	2.5367	3.0825		1.7740	2.5252	2.5340	3.0960	3.9045
H10	2.7486	2.1658	1.0964	2.1930	2.4811	3.9075	3.0854	2.4989	1.7740		2.5388	3.1026	2.5422	3.3865
H11	4.7283	3.5248	2.1950	1.0988	4.9206	5.7276	3.8350	3.8044	2.5252	2.5388		1.7832	1.7832	5.8398
H12	4.2275	2.8192	2.1941	1.0995	4.9021	5.0148	2.6342	3.1608	2.5340	3.1026	1.7832		1.7833	5.8175
H13	4.2232	2.8160	2.1920	1.0997	4.5000	5.2780	3.1753	2.5994	3.0960	2.5422	1.7832	1.7833		5.4911
H14	1.9497	3.2492	3.7585	5.2498	0.9929	2.3609	4.0520	3.5805	3.9045	3.3865	5.8398	5.8175	5.4911

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	111.539	C1	C2	H7	107.651
C1	C2	H8	108.415	C1	O5	H14	108.304
C2	C1	O5	109.852	C2	C1	O6	127.970
C2	C3	C4	111.448	C2	C3	H9	109.043
C2	C3	H10	108.234	C3	C2	H7	111.054
C3	C2	H8	109.116	C3	C4	H11	110.656
C3	C4	H12	110.536	C3	C4	H13	110.366
C4	C3	H9	109.671	C4	C3	H10	110.637
O5	C1	O6	122.178	H7	C2	H8	108.994
H9	C3	H10	107.711	H11	C4	H12	108.427
H11	C4	H13	108.409	H12	C4	H13	108.372

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

using model chemistry: CCD/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: CCD/3-21G

States and conformations

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