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	hartrees
Energy at 0K	-58.490911
Energy at 298.15K	-58.500144
HF Energy	-57.883630
Nuclear repulsion energy	130.447420

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3574	3489	35.58
2	A	3095	3021	42.45
3	A	3073	2999	47.49
4	A	3070	2996	39.14
5	A	3047	2974	0.79
6	A	3012	2940	22.59
7	A	2987	2915	20.03
8	A	2963	2892	38.71
9	A	1646	1606	200.55
10	A	1533	1497	10.12
11	A	1527	1491	7.65
12	A	1516	1480	1.53
13	A	1504	1468	4.71
14	A	1450	1415	3.31
15	A	1405	1371	6.45
16	A	1347	1314	26.94
17	A	1333	1301	1.57
18	A	1306	1274	23.15
19	A	1271	1240	2.87
20	A	1187	1159	64.35
21	A	1121	1094	6.50
22	A	1070	1044	96.82
23	A	1039	1014	104.09
24	A	907	885	3.24
25	A	893	872	7.87
26	A	821	801	49.58
27	A	737	719	3.01
28	A	668	652	43.09
29	A	588	574	125.24
30	A	539	526	45.74
31	A	407	397	2.81
32	A	322	314	2.31
33	A	225	220	0.03
34	A	179	175	0.14
35	A	85	83	0.18
36	A	41	40	0.07

Atom	x (Å)	y (Å)	z (Å)
C1	1.193	-0.162	0.093
C2	-0.247	-0.349	0.571
C3	-1.287	0.217	-0.461
C4	-2.755	-0.042	0.003
O5	1.559	1.217	0.088
O6	1.996	-1.061	-0.287
H7	-0.400	-1.429	0.717
H8	-0.364	0.172	1.537
H9	-1.114	-0.270	-1.439
H10	-1.108	1.298	-0.587
H11	-3.475	0.363	-0.728
H12	-2.946	-1.124	0.109
H13	-2.945	0.441	0.978
H14	2.488	1.318	-0.236

	C1	C2	C3	C4	O5	O6	H7	H8	H9	H10	H11	H12	H13	H14
C1		1.5290	2.5693	3.9509	1.4267	1.2634	2.1291	2.1501	2.7709	2.8091	4.7683	4.2494	4.2748	1.9943
C2	1.5290		1.5710	2.5898	2.4384	2.5049	1.1013	1.1031	2.1904	2.1897	3.5513	2.8459	2.8407	3.3032
C3	2.5693	1.5710		1.5613	3.0661	3.5271	2.2107	2.2016	1.1056	1.1029	2.2086	2.2083	2.2073	3.9386
C4	3.9509	2.5898	1.5613		4.4946	4.8676	2.8254	2.8483	2.1966	2.2032	1.1028	1.1042	1.1042	5.4216
O5	1.4267	2.4384	3.0661	4.4946		2.3492	3.3518	2.6251	3.4182	2.7526	5.1703	5.0769	4.6564	0.9891
O6	1.2634	2.5049	3.5271	4.8676	2.3492		2.6235	3.2274	3.4091	3.9104	5.6700	4.9582	5.3170	2.4302
H7	2.1291	1.1013	2.2107	2.8254	3.3518	2.6235		1.7991	2.5499	3.1052	3.8414	2.6356	3.1696	4.0986
H8	2.1501	1.1031	2.2016	2.8483	2.6251	3.2274	1.7991		3.1002	2.5165	3.8522	3.2220	2.6545	3.5491
H9	2.7709	2.1904	1.1056	2.1966	3.4182	3.4091	2.5499	3.1002		1.7846	2.5456	2.5463	3.1146	4.1156
H10	2.8091	2.1897	1.1029	2.2032	2.7526	3.9104	3.1052	2.5165	1.7846		2.5481	3.1189	2.5607	3.6133
H11	4.7683	3.5513	2.2086	1.1028	5.1703	5.6700	3.8414	3.8522	2.5456	2.5481		1.7866	1.7877	6.0584
H12	4.2494	2.8459	2.2083	1.1042	5.0769	4.9582	2.6356	3.2220	2.5463	3.1189	1.7866		1.7898	5.9675
H13	4.2748	2.8407	2.2073	1.1042	4.6564	5.3170	3.1696	2.6545	3.1146	2.5607	1.7877	1.7898		5.6359
H14	1.9943	3.3032	3.9386	5.4216	0.9891	2.4302	4.0986	3.5491	4.1156	3.6133	6.0584	5.9675	5.6359

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	111.949	C1	C2	H7	106.960
C1	C2	H8	108.469	C1	O5	H14	109.960
C2	C1	O5	111.127	C2	C1	O6	127.291
C2	C3	C4	111.538	C2	C3	H9	108.590
C2	C3	H10	108.688	C3	C2	H7	110.401
C3	C2	H8	109.588	C3	C4	H11	110.822
C3	C4	H12	110.711	C3	C4	H13	110.632
C4	C3	H9	109.726	C4	C3	H10	110.390
O5	C1	O6	121.568	H7	C2	H8	109.402
H9	C3	H10	107.814	H11	C4	H12	108.096
H11	C4	H13	108.198	H12	C4	H13	108.283

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

using model chemistry: MP2/CEP-121G

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-121G

States and conformations

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