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	hartrees
Energy at 0K	-306.875972
Energy at 298.15K	-306.885493
HF Energy	-305.895701
Nuclear repulsion energy	239.486285

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3908	3908	63.24
2	A	3231	3231	40.82
3	A	3227	3227	28.24
4	A	3220	3220	15.92
5	A	3196	3196	0.55
6	A	3155	3155	23.20
7	A	3144	3144	6.10
8	A	3136	3136	21.73
9	A	1933	1933	301.01
10	A	1576	1576	4.15
11	A	1567	1567	6.30
12	A	1562	1562	1.10
13	A	1543	1543	6.87
14	A	1483	1483	4.62
15	A	1458	1458	39.63
16	A	1434	1434	41.91
17	A	1373	1373	1.61
18	A	1342	1342	2.29
19	A	1310	1310	22.54
20	A	1264	1264	150.92
21	A	1160	1160	4.24
22	A	1132	1132	70.78
23	A	1096	1096	5.83
24	A	960	960	1.26
25	A	922	922	1.31
26	A	906	906	7.55
27	A	773	773	12.48
28	A	741	741	46.31
29	A	636	636	84.18
30	A	590	590	52.61
31	A	442	442	3.09
32	A	341	341	1.55
33	A	255	255	0.04
34	A	193	193	0.06
35	A	94	94	0.23
36	A	46	46	0.26

Atom	x (Å)	y (Å)	z (Å)
C1	1.183	-0.147	0.073
C2	-0.234	-0.415	0.501
C3	-1.260	0.258	-0.418
C4	-2.691	-0.054	0.006
O5	1.480	1.173	0.123
O6	1.983	-0.975	-0.288
H7	-0.370	-1.493	0.512
H8	-0.358	-0.043	1.519
H9	-1.097	-0.083	-1.441
H10	-1.092	1.333	-0.412
H11	-3.407	0.428	-0.656
H12	-2.880	-1.125	-0.018
H13	-2.881	0.298	1.018
H14	2.393	1.254	-0.177

	C1	C2	C3	C4	O5	O6	H7	H8	H9	H10	H11	H12	H13	H14
C1		1.5047	2.5244	3.8759	1.3538	1.2064	2.1008	2.1154	2.7373	2.7567	4.6827	4.1799	4.1960	1.8684
C2	1.5047		1.5325	2.5321	2.3669	2.4195	1.0865	1.0903	2.1508	2.1498	3.4804	2.7879	2.7890	3.1858
C3	2.5244	1.5325		1.5247	2.9389	3.4717	2.1724	2.1576	1.0903	1.0882	2.1667	2.1672	2.1661	3.7941
C4	3.8759	2.5321	1.5247		4.3492	4.7732	2.7777	2.7812	2.1530	2.1572	1.0873	1.0884	1.0886	5.2528
O5	1.3538	2.3669	2.9389	4.3492		2.2437	3.2675	2.6082	3.2651	2.6316	5.0041	4.9303	4.5370	0.9645
O6	1.2064	2.4195	3.4717	4.7732	2.2437		2.5382	3.1003	3.4074	3.8464	5.5815	4.8728	5.1946	2.2693
H7	2.1008	1.0865	2.1724	2.7777	3.2675	2.5382		1.7656	2.5155	3.0587	3.7783	2.5915	3.1254	3.9564
H8	2.1154	1.0903	2.1576	2.7812	2.6082	3.1003	1.7656		3.0508	2.4814	3.7748	3.1454	2.5948	3.4821
H9	2.7373	2.1508	1.0903	2.1530	3.2651	3.4074	2.5155	3.0508		1.7500	2.4924	2.5084	3.0619	3.9449
H10	2.7567	2.1498	1.0882	2.1572	2.6316	3.8464	3.0587	2.4814	1.7500		2.4974	3.0649	2.5133	3.4935
H11	4.6827	3.4804	2.1667	1.0873	5.0041	5.5815	3.7783	3.7748	2.4924	2.4974		1.7601	1.7602	5.8778
H12	4.1799	2.7879	2.1672	1.0884	4.9303	4.8728	2.5915	3.1454	2.5084	3.0649	1.7601		1.7601	5.7871
H13	4.1960	2.7890	2.1661	1.0886	4.5370	5.1946	3.1254	2.5948	3.0619	2.5133	1.7602	1.7601		5.4916
H14	1.8684	3.1858	3.7941	5.2528	0.9645	2.2693	3.9564	3.4821	3.9449	3.4935	5.8778	5.7871	5.4916

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	112.432	C1	C2	H7	107.234
C1	C2	H8	108.152	C1	O5	H14	106.183
C2	C1	O5	111.680	C2	C1	O6	126.010
C2	C3	C4	111.837	C2	C3	H9	109.007
C2	C3	H10	109.056	C3	C2	H7	110.943
C3	C2	H8	109.544	C3	C4	H11	110.992
C3	C4	H12	110.964	C3	C4	H13	110.868
C4	C3	H9	109.722	C4	C3	H10	110.186
O5	C1	O6	122.308	H7	C2	H8	108.405
H9	C3	H10	106.899	H11	C4	H12	107.995
H11	C4	H13	107.988	H12	C4	H13	107.903

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

using model chemistry: MP3=FULL/6-31G**

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: MP3=FULL/6-31G**

States and conformations

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