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	hartrees
Energy at 0K	-306.876563
Energy at 298.15K	-306.886040
HF Energy	-305.905869
Nuclear repulsion energy	238.208675

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3824	3659	65.76
2	A	3162	3025	34.49
3	A	3154	3017	27.85
4	A	3148	3011	21.63
5	A	3124	2989	0.56
6	A	3086	2953	20.28
7	A	3073	2940	10.10
8	A	3063	2930	27.12
9	A	1914	1832	299.34
10	A	1510	1445	5.21
11	A	1499	1435	6.97
12	A	1497	1432	1.01
13	A	1481	1417	11.98
14	A	1436	1374	45.39
15	A	1424	1363	18.41
16	A	1398	1338	10.25
17	A	1332	1275	1.41
18	A	1301	1244	1.04
19	A	1280	1225	85.72
20	A	1240	1187	102.91
21	A	1135	1086	3.40
22	A	1105	1057	44.64
23	A	1082	1035	11.40
24	A	946	905	2.32
25	A	902	863	1.70
26	A	886	848	6.80
27	A	762	729	13.07
28	A	732	701	35.22
29	A	627	600	72.75
30	A	584	558	52.45
31	A	436	417	2.27
32	A	336	322	1.19
33	A	254	243	0.02
34	A	191	183	0.02
35	A	96	92	0.19
36	A	45	43	0.20

Atom	x (Å)	y (Å)	z (Å)
C1	1.194	-0.148	0.070
C2	-0.233	-0.426	0.494
C3	-1.266	0.262	-0.417
C4	-2.705	-0.055	0.007
O5	1.478	1.177	0.128
O6	2.000	-0.970	-0.288
H7	-0.369	-1.520	0.489
H8	-0.359	-0.065	1.532
H9	-1.104	-0.067	-1.461
H10	-1.095	1.353	-0.396
H11	-3.434	0.443	-0.656
H12	-2.900	-1.143	-0.030
H13	-2.897	0.287	1.041
H14	2.398	1.256	-0.171

	C1	C2	C3	C4	O5	O6	H7	H8	H9	H10	H11	H12	H13	H14
C1		1.5147	2.5411	3.9008	1.3565	1.2058	2.1221	2.1348	2.7620	2.7767	4.7217	4.2138	4.2269	1.8652
C2	1.5147		1.5398	2.5469	2.3739	2.4279	1.1023	1.1063	2.1703	2.1686	3.5107	2.8102	2.8114	3.1933
C3	2.5411	1.5398		1.5333	2.9442	3.4934	2.1911	2.1746	1.1071	1.1047	2.1885	2.1886	2.1873	3.8046
C4	3.9008	2.5469	1.5333		4.3631	4.8026	2.7993	2.7984	2.1729	2.1767	1.1040	1.1054	1.1056	5.2720
O5	1.3565	2.3739	2.9442	4.3631		2.2484	3.2896	2.6255	3.2773	2.6323	5.0286	4.9572	4.5574	0.9703
O6	1.2058	2.4279	3.4934	4.8026	2.2484		2.5536	3.1141	3.4386	3.8716	5.6270	4.9095	5.2276	2.2643
H7	2.1221	1.1023	2.1911	2.7993	3.2896	2.5536		1.7904	2.5403	3.0930	3.8155	2.6103	3.1560	3.9752
H8	2.1348	1.1063	2.1746	2.7984	2.6255	3.1141	1.7904		3.0847	2.5046	3.8083	3.1709	2.6089	3.5002
H9	2.7620	2.1703	1.1071	2.1729	3.2773	3.4386	2.5403	3.0847		1.7753	2.5179	2.5358	3.0987	3.9591
H10	2.7767	2.1686	1.1047	2.1767	2.6323	3.8716	3.0930	2.5046	1.7753		2.5232	3.1014	2.5392	3.5017
H11	4.7217	3.5107	2.1885	1.1040	5.0286	5.6270	3.8155	3.8083	2.5179	2.5232		1.7866	1.7866	5.9083
H12	4.2138	2.8102	2.1886	1.1054	4.9572	4.9095	2.6103	3.1709	2.5358	3.1014	1.7866		1.7863	5.8170
H13	4.2269	2.8114	2.1873	1.1056	4.5574	5.2276	3.1560	2.6089	3.0987	2.5392	1.7866	1.7863		5.5177
H14	1.8652	3.1933	3.8046	5.2720	0.9703	2.2643	3.9752	3.5002	3.9591	3.5017	5.9083	5.8170	5.5177

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	112.591	C1	C2	H7	107.313
C1	C2	H8	108.068	C1	O5	H14	105.364
C2	C1	O5	111.428	C2	C1	O6	125.992
C2	C3	C4	111.949	C2	C3	H9	109.063
C2	C3	H10	109.063	C3	C2	H7	110.968
C3	C2	H8	109.444	C3	C4	H11	111.115
C3	C4	H12	111.040	C3	C4	H13	110.925
C4	C3	H9	109.712	C4	C3	H10	110.146
O5	C1	O6	122.579	H7	C2	H8	108.316
H9	C3	H10	106.764	H11	C4	H12	107.923
H11	C4	H13	107.910	H12	C4	H13	107.783

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

using model chemistry: CCD/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: CCD/cc-pVDZ

States and conformations

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