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	hartrees
Energy at 0K	-287.806592
Energy at 298.15K	-287.816771
Nuclear repulsion energy	236.338904

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3610	3595	18.67
2	A	3477	3464	14.45
3	A	3015	3003	57.91
4	A	3010	2998	48.27
5	A	2989	2977	8.25
6	A	2965	2954	25.34
7	A	2953	2941	37.19
8	A	2945	2934	25.37
9	A	2930	2919	12.85
10	A	1701	1694	259.33
11	A	1572	1566	88.10
12	A	1476	1471	6.58
13	A	1467	1462	7.02
14	A	1461	1456	2.06
15	A	1431	1425	6.19
16	A	1380	1375	0.82
17	A	1351	1346	39.46
18	A	1319	1314	26.48
19	A	1282	1277	42.19
20	A	1234	1229	52.39
21	A	1216	1211	19.70
22	A	1100	1096	1.21
23	A	1082	1078	2.74
24	A	1034	1030	2.09
25	A	1009	1005	3.65
26	A	893	889	2.39
27	A	865	862	1.00
28	A	810	806	5.03
29	A	735	732	3.97
30	A	656	654	5.01
31	A	596	594	12.94
32	A	506	504	6.51
33	A	412	410	1.84
34	A	331	330	1.92
35	A	241	240	0.62
36	A	192	191	169.59
37	A	183	183	18.66
38	A	91	90	1.86
39	A	44	44	3.69

Atom	x (Å)	y (Å)	z (Å)
C1	-2.761	-0.186	0.047
H2	-2.905	-0.250	1.137
H3	-3.547	0.470	-0.354
H4	-2.925	-1.193	-0.369
C5	-1.360	0.353	-0.301
H6	-1.257	0.448	-1.394
H7	-1.223	1.364	0.108
C8	-0.219	-0.537	0.236
H9	-0.246	-1.532	-0.237
H10	-0.360	-0.702	1.319
N11	2.203	-0.778	-0.160
H12	3.150	-0.411	-0.187
H13	2.071	-1.782	-0.134
C14	1.170	0.110	0.061
O15	1.354	1.324	0.121

	C1	H2	H3	H4	C5	H6	H7	C8	H9	H10	N11	H12	H13	C14	O15
C1		1.1012	1.0997	1.1014	1.5414	2.1773	2.1848	2.5734	2.8668	2.7659	5.0037	5.9200	5.0917	3.9422	4.3843
H2	1.1012		1.7759	1.7769	2.1953	3.0998	2.5486	2.8480	3.2565	2.5917	5.2969	6.2005	5.3594	4.2303	4.6534
H3	1.0997	1.7759		1.7755	2.1912	2.5150	2.5326	3.5270	3.8626	3.7858	5.8872	6.7568	6.0563	4.7488	4.9977
H4	1.1014	1.7769	1.7755		2.2009	2.5542	3.1082	2.8493	2.7034	3.1097	5.1490	6.1276	5.0355	4.3183	4.9883
C5	1.5414	2.1953	2.1912	2.2009		1.1020	1.0989	1.5434	2.1907	2.1764	3.7406	4.5753	4.0439	2.5668	2.9130
H6	2.1773	3.0998	2.5150	2.5542	1.1020		1.7590	2.1692	2.5065	3.0803	3.8728	4.6493	4.1993	2.8495	3.1430
H7	2.1848	2.5486	2.5326	3.1082	1.0989	1.7590		2.1540	3.0763	2.5459	4.0493	4.7286	4.5613	2.7020	2.5776
C8	2.5734	2.8480	3.5270	2.8493	1.5434	2.1692	2.1540		1.1025	1.1046	2.4659	3.3977	2.6322	1.5421	2.4396
H9	2.8668	3.2565	3.8626	2.7034	2.1907	2.5065	3.0763	1.1025		1.7680	2.5641	3.5768	2.3323	2.1889	3.2936
H10	2.7659	2.5917	3.7858	3.1097	2.1764	3.0803	2.5459	1.1046	1.7680		2.9603	3.8307	3.0310	2.1410	2.9120
N11	5.0037	5.2969	5.8872	5.1490	3.7406	3.8728	4.0493	2.4659	2.5641	2.9603		1.0158	1.0136	1.3800	2.2839
H12	5.9200	6.2005	6.7568	6.1276	4.5753	4.6493	4.7286	3.3977	3.5768	3.8307	1.0158		1.7461	2.0624	2.5157
H13	5.0917	5.3594	6.0563	5.0355	4.0439	4.1993	4.5613	2.6322	2.3323	3.0310	1.0136	1.7461		2.1047	3.1979
C14	3.9422	4.2303	4.7488	4.3183	2.5668	2.8495	2.7020	1.5421	2.1889	2.1410	1.3800	2.0624	2.1047		1.2293
O15	4.3843	4.6534	4.9977	4.9883	2.9130	3.1430	2.5776	2.4396	3.2936	2.9120	2.2839	2.5157	3.1979	1.2293

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C5	H6	109.796	C1	C5	H7	110.560
C1	C5	C8	113.065	H2	C1	H3	107.586
H2	C1	H4	107.556	H2	C1	C5	111.260
H3	C1	H4	107.535	H3	C1	C5	111.016
H4	C1	C5	111.688	C5	C8	H9	110.672
C5	C8	H10	109.433	C5	C8	C14	112.581
H6	C5	H7	106.108	H6	C5	C8	109.028
H7	C5	C8	108.028	C8	C14	N11	114.995
C8	C14	O15	122.951	H9	C8	H10	106.455
H9	C8	C14	110.622	H10	C8	C14	106.812
N11	C14	O15	122.052	H12	N11	H13	118.722
H12	N11	C14	118.031	H13	N11	C14	122.378

All results from a given calculation for C₄H₉NO (Butanamide)

using model chemistry: BLYP/6-311G**

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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Number	Element	Mulliken
1	C	-0.285
2	H	0.098
3	H	0.105
4	H	0.094
5	C	-0.212
6	H	0.106
7	H	0.126
8	C	-0.246
9	H	0.099
10	H	0.127
11	N	-0.414
12	H	0.216
13	H	0.212
14	C	0.302
15	O	-0.329

	x	y	z	Total
	0.379	-3.423	-0.055	3.444
CHELPG
AIM
ESP

	x	y	z
x	10.657	-0.453	-0.233
y	-0.453	8.776	0.055
z	-0.233	0.055	6.593

<r²>	221.778
(<r²>)^1/2	14.892

All results from a given calculation for C4H9NO (Butanamide)

using model chemistry: BLYP/6-311G**

States and conformations

All results from a given calculation for C₄H₉NO (Butanamide)