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	hartrees
Energy at 0K	-287.662541
Energy at 298.15K
HF Energy	-287.662541
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3642	3571	17.37
2	A	3511	3442	14.94
3	A	3066	3006	63.06
4	A	3062	3002	48.62
5	A	3040	2980	6.00
6	A	3012	2953	24.60
7	A	2997	2939	33.14
8	A	2982	2924	35.12
9	A	2970	2911	15.65
10	A	1758	1723	243.21
11	A	1615	1584	88.14
12	A	1510	1481	4.15
13	A	1503	1474	6.05
14	A	1494	1465	1.85
15	A	1467	1438	4.76
16	A	1413	1386	0.72
17	A	1389	1362	52.76
18	A	1348	1321	26.55
19	A	1307	1282	37.13
20	A	1259	1234	50.56
21	A	1242	1217	15.56
22	A	1123	1101	1.39
23	A	1105	1083	3.43
24	A	1058	1038	1.68
25	A	1038	1018	3.31
26	A	915	897	2.23
27	A	878	860	0.95
28	A	833	817	4.42
29	A	743	729	5.74
30	A	663	650	7.40
31	A	606	594	19.35
32	A	508	498	6.94
33	A	418	410	1.66
34	A	337	331	2.17
35	A	249	244	22.98
36	A	239	235	198.28
37	A	184	181	8.11
38	A	87	85	1.24
39	A	7i	6i	4.99

Atom	x (Å)	y (Å)	z (Å)
C1	-2.741	-0.189	0.028
H2	-2.901	-0.252	1.116
H3	-3.527	0.458	-0.389
H4	-2.884	-1.199	-0.387
C5	-1.347	0.359	-0.295
H6	-1.220	0.446	-1.386
H7	-1.225	1.373	0.110
C8	-0.222	-0.520	0.270
H9	-0.263	-1.531	-0.168
H10	-0.366	-0.645	1.358
N11	2.173	-0.790	-0.193
H12	3.124	-0.437	-0.189
H13	2.040	-1.787	-0.079
C14	1.162	0.108	0.066
O15	1.362	1.319	0.119

	C1	H2	H3	H4	C5	H6	H7	C8	H9	H10	N11	H12	H13	C14	O15
C1		1.1013	1.0998	1.1015	1.5328	2.1723	2.1786	2.5524	2.8255	2.7598	4.9561	5.8747	5.0422	3.9145	4.3731
H2	1.1013		1.7778	1.7768	2.1861	3.0941	2.5417	2.8217	3.2006	2.5759	5.2673	6.1672	5.3094	4.2111	4.6513
H3	1.0998	1.7778		1.7774	2.1849	2.5141	2.5276	3.5093	3.8290	3.7759	5.8388	6.7143	6.0106	4.7240	4.9911
H4	1.1015	1.7768	1.7774		2.1904	2.5443	3.1008	2.8245	2.6511	3.1128	5.0773	6.0592	4.9681	4.2754	4.9628
C5	1.5328	2.1861	2.1849	2.1904		1.1018	1.0989	1.5352	2.1822	2.1681	3.7040	4.5424	4.0148	2.5466	2.9042
H6	2.1723	3.0941	2.5141	2.5443	1.1018		1.7601	2.1613	2.5113	3.0735	3.8030	4.5913	4.1615	2.8095	3.1140
H7	2.1786	2.5417	2.5276	3.1008	1.0989	1.7601		2.1480	3.0716	2.5227	4.0390	4.7199	4.5470	2.7012	2.5877
C8	2.5524	2.8217	3.5093	2.8245	1.5352	2.1613	2.1480		1.1025	1.1042	2.4544	3.3785	2.6157	1.5333	2.4324
H9	2.8255	3.2006	3.8290	2.6511	2.1822	2.5113	3.0716	1.1025		1.7677	2.5463	3.5590	2.3184	2.1839	3.2935
H10	2.7598	2.5759	3.7759	3.1128	2.1681	3.0735	2.5227	1.1042	1.7677		2.9788	3.8234	3.0260	2.1377	2.8946
N11	4.9561	5.2673	5.8388	5.0773	3.7040	3.8030	4.0390	2.4544	2.5463	2.9788		1.0141	1.0124	1.3769	2.2808
H12	5.8747	6.1672	6.7143	6.0592	4.5424	4.5913	4.7199	3.3785	3.5590	3.8234	1.0141		1.7347	2.0527	2.5067
H13	5.0422	5.3094	6.0106	4.9681	4.0148	4.1615	4.5470	2.6157	2.3184	3.0260	1.0124	1.7347		2.0934	3.1852
C14	3.9145	4.2111	4.7240	4.2754	2.5466	2.8095	2.7012	1.5333	2.1839	2.1377	1.3769	2.0527	2.0934		1.2289
O15	4.3731	4.6513	4.9911	4.9628	2.9042	3.1140	2.5877	2.4324	3.2935	2.8946	2.2808	2.5067	3.1852	1.2289

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C5	H6	109.983	C1	C5	H7	110.672
C1	C5	C8	112.746	H2	C1	H3	107.663
H2	C1	H4	107.506	H2	C1	C5	111.131
H3	C1	H4	107.634	H3	C1	C5	111.241
H4	C1	C5	111.474	C5	C8	H9	110.442
C5	C8	H10	109.423	C5	C8	C14	112.657
H6	C5	H7	106.064	H6	C5	C8	108.930
H7	C5	C8	108.204	C8	C14	N11	115.051
C8	C14	O15	123.183	H9	C8	H10	106.206
H9	C8	C14	110.577	H10	C8	C14	107.276
N11	C14	O15	121.765	H12	N11	H13	118.132
H12	N11	C14	117.877	H13	N11	C14	121.995

All results from a given calculation for C₄H₉NO (Butanamide)

using model chemistry: B97D3/6-31G*

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	-0.459
2	H	0.146
3	H	0.152
4	H	0.143
5	C	-0.256
6	H	0.146
7	H	0.173
8	C	-0.367
9	H	0.137
10	H	0.168
11	N	-0.733
12	H	0.335
13	H	0.329
14	C	0.575
15	O	-0.489

	x	y	z	Total
	0.315	-3.413	0.186	3.432
CHELPG
AIM
ESP

	x	y	z
x	9.516	-0.391	-0.247
y	-0.391	8.085	0.108
z	-0.247	0.108	5.879

<r²>	218.722
(<r²>)^1/2	14.789

All results from a given calculation for C4H9NO (Butanamide)

using model chemistry: B97D3/6-31G*

States and conformations

All results from a given calculation for C₄H₉NO (Butanamide)