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	hartrees
Energy at 0K	-286.542347
Energy at 298.15K	-286.552925
HF Energy	-285.960645
Nuclear repulsion energy	233.786249

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3754	3624	33.96
2	A	3595	3471	51.12
3	A	3125	3016	77.13
4	A	3120	3011	47.11
5	A	3102	2994	1.76
6	A	3086	2979	14.68
7	A	3041	2936	33.62
8	A	3028	2923	20.04
9	A	3013	2909	36.69
10	A	1696	1637	195.78
11	A	1635	1578	131.67
12	A	1544	1490	9.78
13	A	1542	1489	8.84
14	A	1533	1480	2.80
15	A	1512	1460	9.23
16	A	1459	1408	3.61
17	A	1427	1377	37.75
18	A	1382	1334	77.34
19	A	1343	1296	4.69
20	A	1316	1270	80.75
21	A	1284	1240	24.10
22	A	1166	1125	5.73
23	A	1136	1096	7.15
24	A	1077	1040	8.32
25	A	1061	1024	1.50
26	A	925	893	3.39
27	A	912	881	2.91
28	A	857	827	0.33
29	A	771	745	7.13
30	A	683	659	43.03
31	A	602	581	68.87
32	A	530	512	52.17
33	A	463	447	211.11
34	A	421	406	4.27
35	A	332	321	2.06
36	A	232	224	0.10
37	A	185	179	5.97
38	A	90	87	2.19
39	A	37	36	5.51

Atom	x (Å)	y (Å)	z (Å)
C1	-2.772	-0.174	0.007
H2	-2.964	-0.020	1.086
H3	-3.544	0.375	-0.561
H4	-2.887	-1.253	-0.211
C5	-1.344	0.323	-0.374
H6	-1.175	0.182	-1.459
H7	-1.241	1.402	-0.163
C8	-0.235	-0.443	0.417
H9	-0.291	-1.527	0.192
H10	-0.408	-0.313	1.503
N11	2.139	-0.862	-0.208
H12	3.087	-0.558	-0.412
H13	1.925	-1.853	-0.218
C14	1.173	0.101	0.095
O15	1.450	1.345	0.104

	C1	H2	H3	H4	C5	H6	H7	C8	H9	H10	N11	H12	H13	C14	O15
C1		1.1060	1.1048	1.1061	1.5595	2.1978	2.2041	2.5838	2.8316	2.8004	4.9637	5.8870	4.9935	3.9554	4.4881
H2	1.1060		1.7900	1.7911	2.2073	3.1176	2.5590	2.8417	3.1960	2.6063	5.3316	6.2573	5.3823	4.2554	4.7234
H3	1.1048	1.7900		1.7895	2.2081	2.5410	2.5526	3.5459	3.8423	3.8164	5.8265	6.6980	5.9155	4.7698	5.1304
H4	1.1061	1.7911	1.7895		2.2112	2.5586	3.1238	2.8427	2.6412	3.1564	5.0410	6.0178	4.8496	4.2903	5.0649
C5	1.5595	2.2073	2.2081	2.2112		1.1075	1.1044	1.5630	2.2026	2.1916	3.6831	4.5184	3.9307	2.5699	3.0132
H6	2.1978	3.1176	2.5410	2.5586	1.1075		1.7819	2.1891	2.5350	3.0992	3.6924	4.4504	3.9102	2.8166	3.2686
H7	2.2041	2.5590	2.5526	3.1238	1.1044	1.7819		2.1806	3.0995	2.5321	4.0689	4.7584	4.5418	2.7544	2.7052
C8	2.5838	2.8417	3.5459	2.8427	1.5630	2.1891	2.1806		1.1075	1.1075	2.4904	3.4262	2.6565	1.5432	2.4768
H9	2.8316	3.1960	3.8423	2.6412	2.2026	2.5350	3.0995	1.1075		1.7896	2.5509	3.5661	2.2777	2.1913	3.3589
H10	2.8004	2.6063	3.8164	3.1564	2.1916	3.0992	2.5321	1.1075	1.7896		3.1172	3.9933	3.2829	2.1568	2.8564
N11	4.9637	5.3316	5.8265	5.0410	3.6831	3.6924	4.0689	2.4904	2.5509	3.1172		1.0166	1.0137	1.3978	2.3325
H12	5.8870	6.2573	6.6980	6.0178	4.5184	4.4504	4.7584	3.4262	3.5661	3.9933	1.0166		1.7506	2.0876	2.5625
H13	4.9935	5.3823	5.9155	4.8496	3.9307	3.9102	4.5418	2.6565	2.2777	3.2829	1.0137	1.7506		2.1175	3.2486
C14	3.9554	4.2554	4.7698	4.2903	2.5699	2.8166	2.7544	1.5432	2.1913	2.1568	1.3978	2.0876	2.1175		1.2739
O15	4.4881	4.7234	5.1304	5.0649	3.0132	3.2686	2.7052	2.4768	3.3589	2.8564	2.3325	2.5625	3.2486	1.2739

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C5	H6	109.830	C1	C5	H7	110.502
C1	C5	C8	111.685	H2	C1	H3	108.123
H2	C1	H4	108.131	H2	C1	C5	110.662
H3	C1	H4	108.072	H3	C1	C5	110.791
H4	C1	C5	110.953	C5	C8	H9	109.961
C5	C8	H10	109.114	C5	C8	C14	111.650
H6	C5	H7	107.337	H6	C5	C8	108.920
H7	C5	C8	108.449	C8	C14	N11	115.632
C8	C14	O15	122.804	H9	C8	H10	107.792
H9	C8	C14	110.437	H10	C8	C14	107.774
N11	C14	O15	121.563	H12	N11	H13	119.143
H12	N11	C14	118.841	H13	N11	C14	122.010

All results from a given calculation for C₄H₉NO (Butanamide)

using model chemistry: MP2/SDD

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/SDD

States and conformations

All results from a given calculation for C₄H₉NO (Butanamide)