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	hartrees
Energy at 0K	-58.927033
Energy at 298.15K	-58.936380
HF Energy	-58.037019
Nuclear repulsion energy	132.974677

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3707	3532	59.97
2	A	3180	3030	30.21
3	A	3162	3013	32.41
4	A	3161	3011	31.83
5	A	3137	2989	0.10
6	A	3100	2954	19.20
7	A	3081	2936	13.64
8	A	3062	2918	28.80
9	A	1787	1703	282.89
10	A	1544	1471	9.88
11	A	1538	1465	9.42
12	A	1529	1457	1.63
13	A	1517	1445	7.23
14	A	1448	1380	4.59
15	A	1412	1346	21.34
16	A	1383	1318	41.30
17	A	1341	1277	5.88
18	A	1306	1244	0.58
19	A	1281	1221	18.12
20	A	1224	1166	145.09
21	A	1129	1076	5.38
22	A	1098	1046	102.05
23	A	1073	1022	13.31
24	A	929	885	3.85
25	A	897	855	1.31
26	A	876	835	14.80
27	A	747	711	10.28
28	A	722	688	32.49
29	A	619	590	88.77
30	A	574	547	50.73
31	A	427	407	2.84
32	A	331	315	1.42
33	A	245	234	0.02
34	A	183	175	0.05
35	A	90	85	0.25
36	A	31	30	0.26

Atom	x (Å)	y (Å)	z (Å)
C1	1.178	-0.146	0.100
C2	-0.245	-0.282	0.602
C3	-1.257	0.179	-0.471
C4	-2.706	-0.028	-0.002
O5	1.572	1.172	0.062
O6	1.908	-1.058	-0.273
H7	-0.400	-1.336	0.848
H8	-0.362	0.323	1.509
H9	-1.079	-0.390	-1.392
H10	-1.080	1.236	-0.697
H11	-3.416	0.303	-0.767
H12	-2.901	-1.086	0.206
H13	-2.904	0.541	0.913
H14	2.481	1.160	-0.304

	C1	C2	C3	C4	O5	O6	H7	H8	H9	H10	H11	H12	H13	H14
C1		1.5145	2.5212	3.8868	1.3763	1.2267	2.1130	2.1387	2.7162	2.7645	4.6963	4.1870	4.2177	1.8886
C2	1.5145		1.5451	2.5470	2.3890	2.4501	1.0935	1.0959	2.1642	2.1658	3.5035	2.8036	2.8006	3.2140
C3	2.5212	1.5451		1.5375	3.0447	3.4035	2.1840	2.1769	1.0972	1.0956	2.1833	2.1824	2.1818	3.8677
C4	3.8868	2.5470	1.5375		4.4437	4.7355	2.7844	2.8105	2.1704	2.1740	1.0951	1.0958	1.0960	5.3300
O5	1.3763	2.3890	3.0447	4.4437		2.2801	3.2860	2.5605	3.4032	2.7591	5.1305	5.0129	4.5993	0.9799
O6	1.2267	2.4501	3.4035	4.7355	2.2801		2.5809	3.1991	3.2588	3.7911	5.5176	4.8330	5.2074	2.2908
H7	2.1130	1.0935	2.1840	2.7844	3.2860	2.5809		1.7857	2.5247	3.0771	3.7941	2.5947	3.1301	3.9819
H8	2.1387	1.0959	2.1769	2.8105	2.5605	3.1991	1.7857		3.0716	2.4930	3.8086	3.1826	2.6193	3.4741
H9	2.7162	2.1642	1.0972	2.1704	3.4032	3.2588	2.5247	3.0716		1.7689	2.5167	2.5212	3.0841	4.0324
H10	2.7645	2.1658	1.0956	2.1740	2.7591	3.7911	3.0771	2.4930	1.7689		2.5166	3.0864	2.5303	3.5835
H11	4.6963	3.5035	2.1833	1.0951	5.1305	5.5176	3.7941	3.8086	2.5167	2.5166		1.7725	1.7730	5.9770
H12	4.1870	2.8036	2.1824	1.0958	5.0129	4.8330	2.5947	3.1826	2.5212	3.0864	1.7725		1.7747	5.8542
H13	4.2177	2.8006	2.1818	1.0960	4.5993	5.2074	3.1301	2.6193	3.0841	2.5303	1.7730	1.7747		5.5550
H14	1.8886	3.2140	3.8677	5.3300	0.9799	2.2908	3.9819	3.4741	4.0324	3.5835	5.9770	5.8542	5.5550

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	110.972	C1	C2	H7	107.118
C1	C2	H8	108.978	C1	O5	H14	105.307
C2	C1	O5	111.371	C2	C1	O6	126.387
C2	C3	C4	111.428	C2	C3	H9	108.795
C2	C3	H10	109.010	C3	C2	H7	110.554
C3	C2	H8	109.859	C3	C4	H11	110.944
C3	C4	H12	110.832	C3	C4	H13	110.772
C4	C3	H9	109.798	C4	C3	H10	110.172
O5	C1	O6	122.209	H7	C2	H8	109.296
H9	C3	H10	107.543	H11	C4	H12	108.002
H11	C4	H13	108.035	H12	C4	H13	108.139

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)