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	hartrees
Energy at 0K	-284.751152
Energy at 298.15K	-284.761903
Nuclear repulsion energy	239.492579

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3580	3516	26.75
2	A	3445	3383	23.23
3	A	3065	3010	19.90
4	A	3057	3002	28.93
5	A	3032	2977	1.83
6	A	3010	2956	10.32
7	A	2993	2939	14.62
8	A	2975	2921	17.71
9	A	2958	2905	6.61
10	A	1752	1720	172.64
11	A	1599	1570	113.82
12	A	1506	1479	13.42
13	A	1500	1473	14.24
14	A	1493	1466	6.42
15	A	1448	1422	11.68
16	A	1401	1376	3.98
17	A	1376	1351	127.01
18	A	1344	1320	5.74
19	A	1304	1280	47.51
20	A	1260	1237	2.12
21	A	1232	1210	0.91
22	A	1137	1117	5.61
23	A	1106	1086	6.45
24	A	1088	1069	3.74
25	A	1062	1043	0.53
26	A	937	920	5.59
27	A	893	877	3.74
28	A	836	821	10.47
29	A	758	744	28.14
30	A	691	679	58.98
31	A	611	600	26.07
32	A	536	527	167.53
33	A	512	503	43.35
34	A	428	420	1.80
35	A	357	351	3.72
36	A	256	251	1.00
37	A	196	192	9.12
38	A	87	86	1.74
39	A	76	74	2.79

Atom	x (Å)	y (Å)	z (Å)
C1	-2.687	-0.174	0.112
H2	-2.731	-0.325	1.207
H3	-3.482	0.539	-0.167
H4	-2.912	-1.143	-0.371
C5	-1.316	0.336	-0.298
H6	-1.280	0.511	-1.391
H7	-1.069	1.306	0.176
C8	-0.201	-0.618	0.092
H9	-0.190	-1.522	-0.547
H10	-0.367	-0.958	1.137
N11	2.208	-0.714	-0.064
H12	3.141	-0.294	-0.069
H13	2.112	-1.728	-0.143
C14	1.131	0.104	0.042
O15	1.220	1.340	0.116

	C1	H2	H3	H4	C5	H6	H7	C8	H9	H10	N11	H12	H13	C14	O15
C1		1.1063	1.1040	1.1061	1.5183	2.1694	2.1926	2.5246	2.9129	2.6548	4.9275	5.8316	5.0501	3.8285	4.1895
H2	1.1063		1.7886	1.7867	2.1687	3.0907	2.5461	2.7797	3.3112	2.4483	5.1146	6.0090	5.2193	4.0568	4.4239
H3	1.1040	1.7886		1.7876	2.1791	2.5196	2.5546	3.4885	3.9027	3.6943	5.8274	6.6760	6.0357	4.6384	4.7781
H4	1.1061	1.7867	1.7876		2.1765	2.5375	3.1125	2.7994	2.7537	2.9644	5.1471	6.1197	5.0627	4.2512	4.8449
C5	1.5183	2.1687	2.1791	2.1765		1.1070	1.1072	1.5186	2.1872	2.1533	3.6850	4.5076	4.0043	2.4819	2.7591
H6	2.1694	3.0907	2.5196	2.5375	1.1070		1.7688	2.1533	2.4568	3.0631	3.9276	4.6838	4.2509	2.8336	3.0339
H7	2.1926	2.5461	2.5546	3.1125	1.1072	1.7688		2.1122	3.0484	2.5577	3.8571	4.5106	4.4070	2.5106	2.2904
C8	2.5246	2.7797	3.4885	2.7994	1.5186	2.1533	2.1122		1.1071	1.1115	2.4164	3.3620	2.5762	1.5168	2.4197
H9	2.9129	3.3112	3.9027	2.7537	2.1872	2.4568	3.0484	1.1071		1.7848	2.5765	3.5826	2.3459	2.1769	3.2589
H10	2.6548	2.4483	3.6943	2.9644	2.1533	3.0631	2.5577	1.1115	1.7848		2.8517	3.7684	2.8941	2.1384	2.9734
N11	4.9275	5.1146	5.8274	5.1471	3.6850	3.9276	3.8571	2.4164	2.5765	2.8517		1.0232	1.0215	1.3566	2.2860
H12	5.8316	6.0090	6.6760	6.1197	4.5076	4.6838	4.5106	3.3620	3.5826	3.7684	1.0232		1.7666	2.0519	2.5285
H13	5.0501	5.2193	6.0357	5.0627	4.0043	4.2509	4.4070	2.5762	2.3459	2.8941	1.0215	1.7666		2.0862	3.2050
C14	3.8285	4.0568	4.6384	4.2512	2.4819	2.8336	2.5106	1.5168	2.1769	2.1384	1.3566	2.0519	2.0862		1.2408
O15	4.1895	4.4239	4.7781	4.8449	2.7591	3.0339	2.2904	2.4197	3.2589	2.9734	2.2860	2.5285	3.2050	1.2408

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C5	H6	110.471	C1	C5	H7	112.310
C1	C5	C8	112.474	H2	C1	H3	108.040
H2	C1	H4	107.723	H2	C1	C5	110.455
H3	C1	H4	107.964	H3	C1	C5	111.424
H4	C1	C5	111.093	C5	C8	H9	111.866
C5	C8	H10	108.937	C5	C8	C14	109.705
H6	C5	H7	106.040	H6	C5	C8	109.196
H7	C5	C8	106.048	C8	C14	N11	114.368
C8	C14	O15	122.363	H9	C8	H10	107.121
H9	C8	C14	111.167	H10	C8	C14	107.909
N11	C14	O15	123.256	H12	N11	H13	119.538
H12	N11	C14	118.467	H13	N11	C14	121.995

All results from a given calculation for C₄H₉NO (Butanamide)

using model chemistry: LSDA/3-21G*

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	-0.634
2	H	0.207
3	H	0.215
4	H	0.205
5	C	-0.420
6	H	0.217
7	H	0.241
8	C	-0.516
9	H	0.207
10	H	0.241
11	N	-0.739
12	H	0.327
13	H	0.321
14	C	0.575
15	O	-0.447

	x	y	z	Total
	1.037	-3.459	-0.189	3.616
CHELPG
AIM
ESP

	x	y	z
x	8.786	-0.446	-0.106
y	-0.446	7.469	0.098
z	-0.106	0.098	5.193

<r²>	0.000
(<r²>)^1/2	0.000

All results from a given calculation for C4H9NO (Butanamide)

using model chemistry: LSDA/3-21G*

States and conformations

All results from a given calculation for C₄H₉NO (Butanamide)