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	hartrees
Energy at 0K	-306.886934
Energy at 298.15K	-306.896385
HF Energy	-305.905023
Nuclear repulsion energy	237.885054

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3790	3636	60.68
2	A	3151	3023	34.82
3	A	3142	3014	29.65
4	A	3135	3008	24.67
5	A	3112	2986	0.47
6	A	3077	2952	20.40
7	A	3063	2939	10.81
8	A	3053	2929	29.30
9	A	1868	1793	284.69
10	A	1508	1446	4.66
11	A	1497	1436	6.61
12	A	1494	1433	0.86
13	A	1478	1418	8.99
14	A	1429	1371	24.25
15	A	1417	1359	29.95
16	A	1392	1336	13.18
17	A	1329	1275	1.76
18	A	1296	1244	0.93
19	A	1272	1220	57.37
20	A	1232	1182	118.23
21	A	1131	1085	3.50
22	A	1100	1055	46.93
23	A	1078	1035	14.30
24	A	940	902	2.14
25	A	897	861	1.28
26	A	881	845	7.86
27	A	759	729	11.09
28	A	727	698	39.09
29	A	623	598	71.90
30	A	579	555	47.20
31	A	433	415	2.15
32	A	335	322	1.22
33	A	254	244	0.02
34	A	190	183	0.03
35	A	96	92	0.19
36	A	42	40	0.20

Atom	x (Å)	y (Å)	z (Å)
C1	1.194	-0.148	0.070
C2	-0.234	-0.429	0.493
C3	-1.267	0.263	-0.415
C4	-2.707	-0.057	0.006
O5	1.475	1.182	0.129
O6	2.008	-0.970	-0.288
H7	-0.370	-1.524	0.482
H8	-0.360	-0.074	1.533
H9	-1.103	-0.060	-1.461
H10	-1.096	1.355	-0.388
H11	-3.436	0.445	-0.655
H12	-2.900	-1.145	-0.038
H13	-2.900	0.279	1.042
H14	2.396	1.258	-0.171

	C1	C2	C3	C4	O5	O6	H7	H8	H9	H10	H11	H12	H13	H14
C1		1.5157	2.5421	3.9023	1.3602	1.2112	2.1234	2.1358	2.7626	2.7773	4.7235	4.2153	4.2287	1.8657
C2	1.5157		1.5401	2.5475	2.3768	2.4348	1.1028	1.1067	2.1707	2.1687	3.5117	2.8111	2.8120	3.1951
C3	2.5421	1.5401		1.5336	2.9424	3.5020	2.1918	2.1753	1.1076	1.1052	2.1892	2.1892	2.1879	3.8042
C4	3.9023	2.5475	1.5336		4.3629	4.8112	2.7998	2.7998	2.1737	2.1777	1.1046	1.1059	1.1061	5.2729
O5	1.3602	2.3768	2.9424	4.3629		2.2558	3.2936	2.6301	3.2735	2.6281	5.0269	4.9581	4.5588	0.9721
O6	1.2112	2.4348	3.5020	4.8112	2.2558		2.5599	3.1190	3.4475	3.8797	5.6364	4.9175	5.2354	2.2651
H7	2.1234	1.1028	2.1918	2.7998	3.2936	2.5599		1.7909	2.5415	3.0938	3.8167	2.6108	3.1562	3.9773
H8	2.1358	1.1067	2.1753	2.7998	2.6301	3.1190	1.7909		3.0857	2.5048	3.8100	3.1729	2.6101	3.5040
H9	2.7626	2.1707	1.1076	2.1737	3.2735	3.4475	2.5415	3.0857		1.7761	2.5191	2.5366	3.0998	3.9561
H10	2.7773	2.1687	1.1052	2.1777	2.6281	3.8797	3.0938	2.5048	1.7761		2.5244	3.1027	2.5403	3.5008
H11	4.7235	3.5117	2.1892	1.1046	5.0269	5.6364	3.8167	3.8100	2.5191	2.5244		1.7875	1.7875	5.9085
H12	4.2153	2.8111	2.1892	1.1059	4.9581	4.9175	2.6108	3.1729	2.5366	3.1027	1.7875		1.7871	5.8179
H13	4.2287	2.8120	2.1879	1.1061	4.5588	5.2354	3.1562	2.6101	3.0998	2.5403	1.7875	1.7871		5.5205
H14	1.8657	3.1951	3.8042	5.2729	0.9721	2.2651	3.9773	3.5040	3.9561	3.5008	5.9085	5.8179	5.5205

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	112.590	C1	C2	H7	107.320
C1	C2	H8	108.049	C1	O5	H14	105.030
C2	C1	O5	111.357	C2	C1	O6	126.111
C2	C3	C4	111.956	C2	C3	H9	109.051
C2	C3	H10	109.031	C3	C2	H7	110.981
C3	C2	H8	109.457	C3	C4	H11	111.120
C3	C4	H12	111.036	C3	C4	H13	110.921
C4	C3	H9	109.720	C4	C3	H10	110.172
O5	C1	O6	122.529	H7	C2	H8	108.303
H9	C3	H10	106.766	H11	C4	H12	107.925
H11	C4	H13	107.911	H12	C4	H13	107.782

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

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

States and conformations

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