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	hartrees
Energy at 0K	-286.901251
Energy at 298.15K	-286.911749
HF Energy	-286.043382
Nuclear repulsion energy	238.536265

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3752	3538	39.70
2	A	3617	3411	46.53
3	A	3194	3012	39.95
4	A	3192	3010	31.25
5	A	3174	2993	0.76
6	A	3134	2956	11.74
7	A	3125	2947	15.80
8	A	3100	2923	22.08
9	A	3083	2907	11.20
10	A	1815	1711	229.97
11	A	1663	1568	107.84
12	A	1571	1481	5.65
13	A	1566	1476	7.22
14	A	1556	1467	2.81
15	A	1532	1445	5.78
16	A	1474	1390	10.42
17	A	1465	1382	60.26
18	A	1399	1320	51.08
19	A	1363	1286	13.34
20	A	1299	1225	36.09
21	A	1296	1222	15.21
22	A	1174	1107	1.11
23	A	1153	1087	1.57
24	A	1113	1049	0.51
25	A	1091	1029	2.98
26	A	963	908	3.31
27	A	917	865	0.85
28	A	874	825	2.53
29	A	772	728	7.55
30	A	650	613	9.92
31	A	626	590	29.44
32	A	509	480	18.75
33	A	436	411	1.99
34	A	352	332	3.64
35	A	316	298	259.95
36	A	257	242	0.53
37	A	188	178	8.96
38	A	97	91	0.26
39	A	23	22	3.64

Atom	x (Å)	y (Å)	z (Å)
C1	-2.716	-0.199	0.027
H2	-2.868	-0.326	1.104
H3	-3.501	0.466	-0.346
H4	-2.851	-1.176	-0.447
C5	-1.335	0.372	-0.266
H6	-1.213	0.524	-1.344
H7	-1.215	1.354	0.200
C8	-0.219	-0.535	0.237
H9	-0.256	-1.509	-0.265
H10	-0.354	-0.726	1.311
N11	2.171	-0.777	-0.169
H12	3.114	-0.412	-0.168
H13	2.045	-1.775	-0.091
C14	1.149	0.105	0.057
O15	1.328	1.320	0.112

	C1	H2	H3	H4	C5	H6	H7	C8	H9	H10	N11	H12	H13	C14	O15
C1		1.0946	1.0936	1.0947	1.5236	2.1594	2.1666	2.5291	2.8030	2.7402	4.9258	5.8375	5.0168	3.8772	4.3212
H2	1.0946		1.7687	1.7688	2.1711	3.0745	2.5237	2.7950	3.1772	2.5541	5.2168	6.1159	5.2593	4.1728	4.6150
H3	1.0936	1.7687		1.7684	2.1699	2.4969	2.5123	3.4807	3.7996	3.7510	5.8096	6.6752	5.9868	4.6811	4.9255
H4	1.0947	1.7688	1.7684		2.1748	2.5254	3.0816	2.7951	2.6232	3.0874	5.0462	6.0207	4.9456	4.2305	4.9001
C5	1.5236	2.1711	2.1699	2.1748		1.0958	1.0932	1.5234	2.1684	2.1575	3.6908	4.5181	4.0076	2.5185	2.8516
H6	2.1594	3.0745	2.4969	2.5254	1.0958		1.7533	2.1477	2.4931	3.0582	3.8120	4.5809	4.1800	2.7785	3.0355
H7	2.1666	2.5237	2.5123	3.0816	1.0932	1.7533		2.1354	3.0548	2.5104	4.0181	4.6895	4.5278	2.6771	2.5450
C8	2.5291	2.7950	3.4807	2.7951	1.5234	2.1477	2.1354		1.0970	1.0987	2.4363	3.3593	2.6019	1.5202	2.4181
H9	2.8030	3.1772	3.7996	2.6232	2.1684	2.4931	3.0548	1.0970		1.7621	2.5369	3.5454	2.3225	2.1639	3.2641
H10	2.7402	2.5541	3.7510	3.0874	2.1575	3.0582	2.5104	1.0987	1.7621		2.9271	3.7829	2.9695	2.1259	2.9074
N11	4.9258	5.2168	5.8096	5.0462	3.6908	3.8120	4.0181	2.4363	2.5369	2.9271		1.0111	1.0087	1.3696	2.2778
H12	5.8375	6.1159	6.6752	6.0207	4.5181	4.5809	4.6895	3.3593	3.5454	3.7829	1.0111		1.7344	2.0444	2.5029
H13	5.0168	5.2593	5.9868	4.9456	4.0076	4.1800	4.5278	2.6019	2.3225	2.9695	1.0087	1.7344		2.0881	3.1833
C14	3.8772	4.1728	4.6811	4.2305	2.5185	2.7785	2.6771	1.5202	2.1639	2.1259	1.3696	2.0444	2.0881		1.2291
O15	4.3212	4.6150	4.9255	4.9001	2.8516	3.0355	2.5450	2.4181	3.2641	2.9074	2.2778	2.5029	3.1833	1.2291

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C5	H6	109.976	C1	C5	H7	110.705
C1	C5	C8	112.206	H2	C1	H3	107.860
H2	C1	H4	107.796	H2	C1	C5	110.981
H3	C1	H4	107.830	H3	C1	C5	110.944
H4	C1	C5	111.277	C5	C8	H9	110.633
C5	C8	H10	109.669	C5	C8	C14	111.677
H6	C5	H7	106.435	H6	C5	C8	109.069
H7	C5	C8	108.261	C8	C14	N11	114.831
C8	C14	O15	122.816	H9	C8	H10	106.744
H9	C8	C14	110.499	H10	C8	C14	107.442
N11	C14	O15	122.352	H12	N11	H13	118.346
H12	N11	C14	117.558	H13	N11	C14	122.070

All results from a given calculation for C₄H₉NO (Butanamide)

using model chemistry: MP2/6-31G*

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 C4H9NO (Butanamide)

using model chemistry: MP2/6-31G*

States and conformations

All results from a given calculation for C₄H₉NO (Butanamide)