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	hartrees
Energy at 0K	-306.275603
Energy at 298.15K	-306.285173
HF Energy	-305.736437
Nuclear repulsion energy	237.041436

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3798	3552	54.71
2	A	3206	2998	39.73
3	A	3192	2986	34.47
4	A	3187	2980	23.70
5	A	3168	2963	1.38
6	A	3135	2932	17.27
7	A	3119	2917	10.52
8	A	3111	2910	28.60
9	A	1836	1717	284.21
10	A	1611	1506	7.75
11	A	1600	1497	8.30
12	A	1598	1494	2.45
13	A	1581	1478	5.23
14	A	1524	1425	3.67
15	A	1477	1381	4.94
16	A	1447	1353	64.71
17	A	1404	1313	0.79
18	A	1393	1303	5.46
19	A	1342	1255	1.05
20	A	1259	1178	116.90
21	A	1187	1110	13.41
22	A	1148	1074	141.81
23	A	1096	1025	14.39
24	A	966	904	2.05
25	A	951	889	2.78
26	A	904	845	16.05
27	A	794	743	6.09
28	A	727	680	68.91
29	A	632	591	129.81
30	A	589	551	70.14
31	A	447	418	4.11
32	A	349	326	2.46
33	A	246	230	0.04
34	A	199	186	0.15
35	A	94	88	0.23
36	A	55	51	0.19

Atom	x (Å)	y (Å)	z (Å)
C1	1.185	-0.157	0.071
C2	-0.234	-0.434	0.484
C3	-1.274	0.279	-0.411
C4	-2.714	-0.061	0.009
O5	1.487	1.188	0.127
O6	2.016	-0.987	-0.287
H7	-0.373	-1.516	0.449
H8	-0.359	-0.105	1.521
H9	-1.114	-0.019	-1.453
H10	-1.109	1.358	-0.358
H11	-3.437	0.447	-0.635
H12	-2.899	-1.138	-0.061
H13	-2.904	0.249	1.041
H14	2.402	1.358	-0.146

	C1	C2	C3	C4	O5	O6	H7	H8	H9	H10	H11	H12	H13	H14
C1		1.5039	2.5432	3.9006	1.3788	1.2278	2.1022	2.1191	2.7609	2.7814	4.7141	4.2024	4.2220	1.9556
C2	1.5039		1.5464	2.5526	2.3918	2.4417	1.0915	1.0949	2.1675	2.1646	3.5053	2.8099	2.8115	3.2500
C3	2.5432	1.5464		1.5379	2.9564	3.5271	2.1848	2.1720	1.0957	1.0927	2.1809	2.1841	2.1829	3.8410
C4	3.9006	2.5526	1.5379		4.3847	4.8286	2.7913	2.7994	2.1676	2.1739	1.0931	1.0943	1.0945	5.3122
O5	1.3788	2.3918	2.9564	4.3847		2.2757	3.2977	2.6503	3.2738	2.6463	5.0375	4.9683	4.5827	0.9703
O6	1.2278	2.4417	3.5271	4.8286	2.2757		2.5550	3.1121	3.4769	3.9068	5.6489	4.9225	5.2434	2.3810
H7	2.1022	1.0915	2.1848	2.7913	3.2977	2.5550		1.7720	2.5310	3.0744	3.7970	2.6049	3.1418	4.0399
H8	2.1191	1.0949	2.1720	2.7994	2.6503	3.1121	1.7720		3.0695	2.4969	3.7982	3.1657	2.6141	3.5423
H9	2.7609	2.1675	1.0957	2.1676	3.2738	3.4769	2.5310	3.0695		1.7592	2.5070	2.5251	3.0815	3.9963
H10	2.7814	2.1646	1.0927	2.1739	2.6463	3.9068	3.0744	2.4969	1.7592		2.5154	3.0857	2.5321	3.5176
H11	4.7141	3.5053	2.1809	1.0931	5.0375	5.6489	3.7970	3.7982	2.5070	2.5154		1.7691	1.7693	5.9304
H12	4.2024	2.8099	2.1841	1.0943	4.9683	4.9225	2.6049	3.1657	2.5251	3.0857	1.7691		1.7707	5.8606
H13	4.2220	2.8115	2.1829	1.0945	4.5827	5.2434	3.1418	2.6141	3.0815	2.5321	1.7693	1.7707		5.5498
H14	1.9556	3.2500	3.8410	5.3122	0.9703	2.3810	4.0399	3.5423	3.9963	3.5176	5.9304	5.8606	5.5498

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	112.964	C1	C2	H7	107.114
C1	C2	H8	108.225	C1	O5	H14	111.525
C2	C1	O5	112.064	C2	C1	O6	126.420
C2	C3	C4	111.711	C2	C3	H9	109.056
C2	C3	H10	108.998	C3	C2	H7	110.658
C3	C2	H8	109.450	C3	C4	H11	110.851
C3	C4	H12	111.025	C3	C4	H13	110.919
C4	C3	H9	109.642	C4	C3	H10	110.313
O5	C1	O6	121.516	H7	C2	H8	108.285
H9	C3	H10	106.997	H11	C4	H12	107.960
H11	C4	H13	107.961	H12	C4	H13	107.995

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

using model chemistry: CID/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: CID/6-31G

States and conformations

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