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	hartrees
Energy at 0K	-306.779135
Energy at 298.15K	-306.788627
HF Energy	-305.877490
Nuclear repulsion energy	238.919061

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3770	3538	65.55
2	A	3188	2992	36.27
3	A	3182	2987	25.94
4	A	3176	2981	15.43
5	A	3153	2960	0.27
6	A	3116	2925	19.95
7	A	3105	2914	6.83
8	A	3099	2909	19.58
9	A	1928	1809	304.18
10	A	1570	1474	6.57
11	A	1560	1464	8.27
12	A	1556	1461	1.48
13	A	1538	1444	8.06
14	A	1478	1387	6.79
15	A	1454	1365	45.38
16	A	1431	1344	28.71
17	A	1366	1282	0.94
18	A	1338	1256	0.33
19	A	1309	1229	37.12
20	A	1266	1188	148.39
21	A	1157	1086	5.73
22	A	1132	1062	68.20
23	A	1094	1027	6.28
24	A	958	899	1.51
25	A	922	865	1.20
26	A	904	849	8.33
27	A	773	726	14.22
28	A	742	696	47.10
29	A	637	598	87.07
30	A	591	554	53.88
31	A	441	414	3.47
32	A	342	321	1.56
33	A	253	237	0.04
34	A	193	182	0.06
35	A	94	88	0.24
36	A	45	42	0.24

Atom	x (Å)	y (Å)	z (Å)
C1	1.184	-0.148	0.075
C2	-0.235	-0.411	0.505
C3	-1.262	0.257	-0.421
C4	-2.695	-0.053	0.006
O5	1.486	1.173	0.123
O6	1.983	-0.978	-0.289
H7	-0.371	-1.496	0.523
H8	-0.359	-0.032	1.527
H9	-1.097	-0.091	-1.448
H10	-1.093	1.339	-0.422
H11	-3.416	0.428	-0.663
H12	-2.886	-1.131	-0.012
H13	-2.887	0.306	1.022
H14	2.408	1.249	-0.183

	C1	C2	C3	C4	O5	O6	H7	H8	H9	H10	H11	H12	H13	H14
C1		1.5060	2.5277	3.8808	1.3564	1.2079	2.1053	2.1218	2.7430	2.7638	4.6938	4.1875	4.2043	1.8759
C2	1.5060		1.5357	2.5357	2.3708	2.4231	1.0929	1.0967	2.1589	2.1579	3.4906	2.7948	2.7955	3.1968
C3	2.5277	1.5357		1.5279	2.9472	3.4739	2.1812	2.1661	1.0967	1.0944	2.1746	2.1757	2.1747	3.8089
C4	3.8808	2.5357	1.5279		4.3593	4.7777	2.7845	2.7877	2.1609	2.1651	1.0941	1.0950	1.0952	5.2704
O5	1.3564	2.3708	2.9472	4.3593		2.2455	3.2758	2.6132	3.2773	2.6412	5.0205	4.9441	4.5485	0.9740
O6	1.2079	2.4231	3.4739	4.7777	2.2455		2.5427	3.1106	3.4081	3.8524	5.5910	4.8789	5.2042	2.2701
H7	2.1053	1.0929	2.1812	2.7845	3.2758	2.5427		1.7750	2.5270	3.0735	3.7919	2.5972	3.1352	3.9693
H8	2.1218	1.0967	2.1661	2.7877	2.6132	3.1106	1.7750		3.0655	2.4926	3.7879	3.1558	2.5998	3.4960
H9	2.7430	2.1589	1.0967	2.1609	3.2773	3.4081	2.5270	3.0655		1.7596	2.5025	2.5188	3.0766	3.9604
H10	2.7638	2.1579	1.0944	2.1651	2.6412	3.8524	3.0735	2.4926	1.7596		2.5071	3.0794	2.5244	3.5100
H11	4.6938	3.4906	2.1746	1.0941	5.0205	5.5910	3.7919	3.7879	2.5025	2.5071		1.7703	1.7704	5.9013
H12	4.1875	2.7948	2.1757	1.0950	4.9441	4.8789	2.5972	3.1558	2.5188	3.0794	1.7703		1.7707	5.8071
H13	4.2043	2.7955	2.1747	1.0952	4.5485	5.2042	3.1352	2.5998	3.0766	2.5244	1.7704	1.7707		5.5120
H14	1.8759	3.1968	3.8089	5.2704	0.9740	2.2701	3.9693	3.4960	3.9604	3.5100	5.9013	5.8071	5.5120

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	112.402	C1	C2	H7	107.133
C1	C2	H8	108.196	C1	O5	H14	106.055
C2	C1	O5	111.736	C2	C1	O6	126.111
C2	C3	C4	111.723	C2	C3	H9	109.056
C2	C3	H10	109.110	C3	C2	H7	111.034
C3	C2	H8	109.621	C3	C4	H11	110.988
C3	C4	H12	111.021	C3	C4	H13	110.931
C4	C3	H9	109.750	C4	C3	H10	110.219
O5	C1	O6	122.149	H7	C2	H8	108.317
H9	C3	H10	106.853	H11	C4	H12	107.940
H11	C4	H13	107.929	H12	C4	H13	107.896

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

using model chemistry: MP3/6-31G*

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: MP3/6-31G*

States and conformations

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