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	hartrees
Energy at 0K	-286.398837
Energy at 298.15K	-286.409241
Nuclear repulsion energy	240.463787

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3641	3596	40.51
2	A	3502	3459	32.17
3	A	3050	3013	21.42
4	A	3036	2999	32.95
5	A	3013	2976	0.56
6	A	2983	2946	13.15
7	A	2974	2937	23.06
8	A	2959	2923	19.99
9	A	2940	2904	11.32
10	A	1782	1760	264.05
11	A	1543	1524	174.50
12	A	1436	1419	14.01
13	A	1425	1407	12.46
14	A	1420	1403	4.36
15	A	1387	1369	42.38
16	A	1380	1363	49.86
17	A	1348	1332	5.62
18	A	1316	1300	17.27
19	A	1265	1250	20.01
20	A	1211	1196	3.90
21	A	1191	1176	0.79
22	A	1117	1104	1.51
23	A	1079	1065	3.10
24	A	1069	1056	0.89
25	A	1038	1025	1.47
26	A	921	910	3.62
27	A	857	847	1.88
28	A	832	822	4.98
29	A	730	721	9.33
30	A	664	656	5.81
31	A	604	596	11.05
32	A	511	505	8.09
33	A	416	411	2.25
34	A	343	338	2.83
35	A	290	287	189.09
36	A	247	244	0.44
37	A	186	183	8.16
38	A	95	94	1.44
39	A	61	60	3.08

Atom	x (Å)	y (Å)	z (Å)
C1	-2.690	-0.183	0.073
H2	-2.789	-0.321	1.163
H3	-3.492	0.498	-0.249
H4	-2.880	-1.163	-0.398
C5	-1.326	0.350	-0.283
H6	-1.249	0.520	-1.371
H7	-1.141	1.334	0.180
C8	-0.211	-0.565	0.155
H9	-0.224	-1.517	-0.407
H10	-0.356	-0.836	1.219
N11	2.185	-0.738	-0.106
H12	3.119	-0.337	-0.127
H13	2.067	-1.744	-0.156
C14	1.136	0.104	0.049
O15	1.274	1.312	0.116

	C1	H2	H3	H4	C5	H6	H7	C8	H9	H10	N11	H12	H13	C14	O15
C1		1.1031	1.1005	1.1031	1.5073	2.1578	2.1712	2.5100	2.8441	2.6816	4.9098	5.8150	5.0121	3.8374	4.2371
H2	1.1031		1.7770	1.7757	2.1638	3.0823	2.5341	2.7794	3.2363	2.4884	5.1506	6.0480	5.2299	4.1029	4.5027
H3	1.1005	1.7770		1.7761	2.1716	2.5079	2.5324	3.4730	3.8424	3.7115	5.8120	6.6652	5.9953	4.6550	4.8493
H4	1.1031	1.7757	1.7761		2.1718	2.5373	3.0972	2.7907	2.6792	3.0157	5.0910	6.0618	4.9869	4.2348	4.8625
C5	1.5073	2.1638	2.1716	2.1718		1.1041	1.1032	1.5077	2.1715	2.1463	3.6800	4.5008	3.9896	2.4968	2.8009
H6	2.1578	3.0823	2.5079	2.5373	1.1041		1.7553	2.1416	2.4765	3.0579	3.8704	4.6227	4.1960	2.8075	3.0344
H7	2.1712	2.5341	2.5324	3.0972	1.1032	1.7553		2.1146	3.0518	2.5311	3.9289	4.5866	4.4589	2.5917	2.4161
C8	2.5100	2.7794	3.4730	2.7907	1.5077	2.1416	2.1146		1.1056	1.1080	2.4160	3.3497	2.5839	1.5076	2.3932
H9	2.8441	3.2363	3.8424	2.6792	2.1715	2.4765	3.0518	1.1056		1.7676	2.5499	3.5567	2.3162	2.1646	3.2435
H10	2.6816	2.4884	3.7115	3.0157	2.1463	3.0579	2.5311	1.1080	1.7676		2.8673	3.7601	2.9302	2.1167	2.9133
N11	4.9098	5.1506	5.8120	5.0910	3.6800	3.8704	3.9289	2.4160	2.5499	2.8673		1.0169	1.0147	1.3535	2.2537
H12	5.8150	6.0480	6.6652	6.0618	4.5008	4.6227	4.5866	3.3497	3.5567	3.7601	1.0169		1.7576	2.0390	2.4863
H13	5.0121	5.2299	5.9953	4.9869	3.9896	4.1960	4.4589	2.5839	2.3162	2.9302	1.0147	1.7576		2.0795	3.1690
C14	3.8374	4.1029	4.6550	4.2348	2.4968	2.8075	2.5917	1.5076	2.1646	2.1167	1.3535	2.0390	2.0795		1.2176
O15	4.2371	4.5027	4.8493	4.8625	2.8009	3.0344	2.4161	2.3932	3.2435	2.9133	2.2537	2.4863	3.1690	1.2176

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C5	H6	110.483	C1	C5	H7	111.619
C1	C5	C8	112.714	H2	C1	H3	107.493
H2	C1	H4	107.194	H2	C1	C5	111.026
H3	C1	H4	107.415	H3	C1	C5	111.810
H4	C1	C5	111.664	C5	C8	H9	111.469
C5	C8	H10	109.330	C5	C8	C14	111.804
H6	C5	H7	105.356	H6	C5	C8	109.188
H7	C5	C8	107.160	C8	C14	N11	115.123
C8	C14	O15	122.491	H9	C8	H10	105.977
H9	C8	C14	110.922	H10	C8	C14	107.060
N11	C14	O15	122.378	H12	N11	H13	119.788
H12	N11	C14	117.974	H13	N11	C14	122.173

All results from a given calculation for C₄H₉NO (Butanamide)

using model chemistry: LSDA/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	-0.420
2	H	0.145
3	H	0.155
4	H	0.141
5	C	-0.334
6	H	0.161
7	H	0.180
8	C	-0.385
9	H	0.154
10	H	0.184
11	N	-0.471
12	H	0.248
13	H	0.243
14	C	0.317
15	O	-0.319

	x	y	z	Total
	0.597	-3.520	-0.180	3.575
CHELPG
AIM
ESP

	x	y	z
x	10.415	-0.435	-0.174
y	-0.435	8.697	0.036
z	-0.174	0.036	6.568

<r²>	0.000
(<r²>)^1/2	0.000

All results from a given calculation for C4H9NO (Butanamide)

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

States and conformations

All results from a given calculation for C₄H₉NO (Butanamide)