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	hartrees
Energy at 0K	-286.536931
Energy at 298.15K	-286.547511
HF Energy	-285.959667
Nuclear repulsion energy	233.747099

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3755	3617	33.69
2	A	3597	3464	50.84
3	A	3126	3011	78.15
4	A	3121	3006	47.79
5	A	3103	2988	2.02
6	A	3088	2974	15.08
7	A	3043	2930	34.05
8	A	3030	2918	20.54
9	A	3014	2903	37.04
10	A	1697	1634	194.68
11	A	1635	1575	131.57
12	A	1544	1487	9.84
13	A	1542	1485	8.82
14	A	1533	1477	2.71
15	A	1513	1457	9.16
16	A	1459	1405	3.60
17	A	1427	1375	38.32
18	A	1382	1331	77.34
19	A	1343	1294	4.27
20	A	1316	1268	80.58
21	A	1284	1237	23.79
22	A	1166	1123	5.80
23	A	1136	1094	7.15
24	A	1078	1038	8.30
25	A	1061	1022	1.42
26	A	925	891	3.31
27	A	913	879	2.94
28	A	858	826	0.35
29	A	772	743	7.18
30	A	684	659	44.53
31	A	603	581	70.99
32	A	531	511	53.86
33	A	466	449	206.95
34	A	421	405	3.86
35	A	333	320	2.02
36	A	232	223	0.10
37	A	185	178	5.95
38	A	90	87	2.19
39	A	37	36	5.53

Atom	x (Å)	y (Å)	z (Å)
C1	-2.773	-0.174	0.008
H2	-2.965	-0.018	1.086
H3	-3.545	0.375	-0.561
H4	-2.888	-1.253	-0.210
C5	-1.345	0.323	-0.375
H6	-1.175	0.179	-1.460
H7	-1.242	1.402	-0.166
C8	-0.235	-0.443	0.417
H9	-0.291	-1.526	0.195
H10	-0.409	-0.311	1.503
N11	2.139	-0.862	-0.209
H12	3.087	-0.558	-0.413
H13	1.926	-1.853	-0.218
C14	1.173	0.101	0.096
O15	1.451	1.345	0.104

	C1	H2	H3	H4	C5	H6	H7	C8	H9	H10	N11	H12	H13	C14	O15
C1		1.1060	1.1049	1.1062	1.5599	2.1981	2.2044	2.5846	2.8323	2.8005	4.9647	5.8880	4.9948	3.9565	4.4896
H2	1.1060		1.7900	1.7912	2.2078	3.1180	2.5598	2.8420	3.1961	2.6060	5.3324	6.2581	5.3834	4.2560	4.7241
H3	1.1049	1.7900		1.7896	2.2086	2.5417	2.5526	3.5467	3.8433	3.8164	5.8276	6.6992	5.9168	4.7711	5.1323
H4	1.1062	1.7912	1.7896		2.2116	2.5586	3.1242	2.8439	2.6425	3.1571	5.0423	6.0192	4.8512	4.2917	5.0666
C5	1.5599	2.2078	2.2086	2.2116		1.1076	1.1044	1.5635	2.2030	2.1917	3.6836	4.5190	3.9313	2.5709	3.0148
H6	2.1981	3.1180	2.5417	2.5586	1.1076		1.7819	2.1896	2.5355	3.0995	3.6928	4.4512	3.9104	2.8180	3.2714
H7	2.2044	2.5598	2.5526	3.1242	1.1044	1.7819		2.1811	3.1000	2.5324	4.0694	4.7590	4.5425	2.7555	2.7069
C8	2.5846	2.8420	3.5467	2.8439	1.5635	2.1896	2.1811		1.1075	1.1075	2.4908	3.4265	2.6574	1.5433	2.4768
H9	2.8323	3.1961	3.8433	2.6425	2.2030	2.5355	3.1000	1.1075		1.7895	2.5514	3.5666	2.2785	2.1912	3.3592
H10	2.8005	2.6060	3.8164	3.1571	2.1917	3.0995	2.5324	1.1075	1.7895		3.1185	3.9943	3.2848	2.1568	2.8557
N11	4.9647	5.3324	5.8276	5.0423	3.6836	3.6928	4.0694	2.4908	2.5514	3.1185		1.0166	1.0137	1.3978	2.3326
H12	5.8880	6.2581	6.6992	6.0192	4.5190	4.4512	4.7590	3.4265	3.5666	3.9943	1.0166		1.7505	2.0877	2.5625
H13	4.9948	5.3834	5.9168	4.8512	3.9313	3.9104	4.5425	2.6574	2.2785	3.2848	1.0137	1.7505		2.1176	3.2488
C14	3.9565	4.2560	4.7711	4.2917	2.5709	2.8180	2.7555	1.5433	2.1912	2.1568	1.3978	2.0877	2.1176		1.2741
O15	4.4896	4.7241	5.1323	5.0666	3.0148	3.2714	2.7069	2.4768	3.3592	2.8557	2.3326	2.5625	3.2488	1.2741

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C5	H6	109.823	C1	C5	H7	110.499
C1	C5	C8	111.687	H2	C1	H3	108.118
H2	C1	H4	108.126	H2	C1	C5	110.668
H3	C1	H4	108.070	H3	C1	C5	110.793
H4	C1	C5	110.955	C5	C8	H9	109.960
C5	C8	H10	109.091	C5	C8	C14	111.689
H6	C5	H7	107.335	H6	C5	C8	108.928
H7	C5	C8	108.452	C8	C14	N11	115.666
C8	C14	O15	122.785	H9	C8	H10	107.780
H9	C8	C14	110.431	H10	C8	C14	107.776
N11	C14	O15	121.549	H12	N11	H13	119.124
H12	N11	C14	118.848	H13	N11	C14	122.021

All results from a given calculation for C₄H₉NO (Butanamide)

using model chemistry: MP2/LANL2DZ

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/LANL2DZ

States and conformations

All results from a given calculation for C₄H₉NO (Butanamide)