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	hartrees
Energy at 0K	-286.125602
Energy at 298.15K	-286.136263
Nuclear repulsion energy	240.186352

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3957	3595	47.24
2	A	3822	3473	51.05
3	A	3240	2943	74.78
4	A	3223	2928	64.40
5	A	3200	2907	23.30
6	A	3191	2899	11.13
7	A	3184	2893	19.61
8	A	3156	2867	38.13
9	A	3151	2862	21.47
10	A	1956	1777	402.62
11	A	1773	1611	132.98
12	A	1627	1478	6.21
13	A	1616	1468	6.48
14	A	1609	1462	1.85
15	A	1589	1444	6.99
16	A	1560	1417	66.47
17	A	1536	1396	8.07
18	A	1467	1333	57.76
19	A	1436	1305	4.15
20	A	1363	1239	107.58
21	A	1358	1234	1.03
22	A	1229	1117	1.90
23	A	1217	1106	1.74
24	A	1168	1061	6.03
25	A	1113	1011	2.42
26	A	991	900	2.79
27	A	961	873	2.39
28	A	910	827	1.19
29	A	809	735	7.38
30	A	678	616	11.50
31	A	666	605	23.54
32	A	536	487	5.73
33	A	464	422	2.30
34	A	366	333	4.07
35	A	262	238	0.29
36	A	228	207	248.80
37	A	194	177	9.64
38	A	105	96	0.81
39	A	29	27	1.84

Atom	x (Å)	y (Å)	z (Å)
C1	-2.726	-0.241	0.011
H2	-2.858	-0.729	0.973
H3	-3.528	0.482	-0.105
H4	-2.847	-0.995	-0.763
C5	-1.363	0.441	-0.084
H6	-1.269	0.950	-1.038
H7	-1.275	1.209	0.677
C8	-0.210	-0.546	0.071
H9	-0.258	-1.314	-0.698
H10	-0.283	-1.064	1.026
N11	2.200	-0.760	-0.078
H12	3.119	-0.391	0.007
H13	2.072	-1.736	0.039
C14	1.159	0.109	0.015
O15	1.321	1.290	0.044

	C1	H2	H3	H4	C5	H6	H7	C8	H9	H10	N11	H12	H13	C14	O15
C1		1.0874	1.0855	1.0874	1.5273	2.1541	2.1560	2.5347	2.7827	2.7705	4.9541	5.8465	5.0251	3.9002	4.3270
H2	1.0874		1.7541	1.7562	2.1733	3.0643	2.5194	2.8032	3.1450	2.5968	5.1662	6.0635	5.1172	4.2133	4.7334
H3	1.0855	1.7541		1.7542	2.1661	2.4887	2.4932	3.4777	3.7773	3.7679	5.8614	6.7049	6.0245	4.7031	4.9186
H4	1.0874	1.7562	1.7542		2.1746	2.5200	3.0661	2.8017	2.6091	3.1272	5.0990	6.0456	5.0383	4.2273	4.8217
C5	1.5273	2.1733	2.1661	2.1746		1.0856	1.0841	1.5251	2.1631	2.1594	3.7598	4.5589	4.0680	2.5449	2.8176
H6	2.1541	3.0643	2.4887	2.5200	1.0856		1.7346	2.1422	2.5034	3.0481	3.9854	4.7061	4.4200	2.7770	2.8279
H7	2.1560	2.5194	2.4932	3.0661	1.0841	1.7346		2.1400	3.0480	2.5040	4.0650	4.7240	4.5032	2.7515	2.6737
C8	2.5347	2.8032	3.4777	2.8017	1.5251	2.1422	2.1400		1.0880	1.0896	2.4245	3.3332	2.5738	1.5184	2.3910
H9	2.7827	3.1450	3.7773	2.6091	2.1631	2.5034	3.0480	1.0880		1.7424	2.5954	3.5713	2.4797	2.1313	3.1353
H10	2.7705	2.5968	3.7679	3.1272	2.1594	3.0481	2.5040	1.0896	1.7424		2.7349	3.6144	2.6405	2.1159	3.0134
N11	4.9541	5.1662	5.8614	5.0990	3.7598	3.9854	4.0650	2.4245	2.5954	2.7349		0.9934	0.9912	1.3597	2.2341
H12	5.8465	6.0635	6.7049	6.0456	4.5589	4.7061	4.7240	3.3332	3.5713	3.6144	0.9934		1.7043	2.0230	2.4619
H13	5.0251	5.1172	6.0245	5.0383	4.0680	4.4200	4.5032	2.5738	2.4797	2.6405	0.9912	1.7043		2.0586	3.1177
C14	3.9002	4.2133	4.7031	4.2273	2.5449	2.7770	2.7515	1.5184	2.1313	2.1159	1.3597	2.0230	2.0586		1.1927
O15	4.3270	4.7334	4.9186	4.8217	2.8176	2.8279	2.6737	2.3910	3.1353	3.0134	2.2341	2.4619	3.1177	1.1927

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C5	H6	109.904	C1	C5	H7	110.147
C1	C5	C8	112.281	H2	C1	H3	107.659
H2	C1	H4	107.709	H2	C1	C5	111.331
H3	C1	H4	107.666	H3	C1	C5	110.864
H4	C1	C5	111.433	C5	C8	H9	110.633
C5	C8	H10	110.243	C5	C8	C14	113.474
H6	C5	H7	106.164	H6	C5	C8	109.119
H7	C5	C8	109.034	C8	C14	N11	114.677
C8	C14	O15	123.300	H9	C8	H10	106.290
H9	C8	C14	108.588	H10	C8	C14	107.308
N11	C14	O15	122.022	H12	N11	H13	118.363
H12	N11	C14	117.731	H13	N11	C14	121.452

All results from a given calculation for C₄H₉NO (Butanamide)

using model chemistry: HF/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	-0.237
2	H	0.083
3	H	0.097
4	H	0.082
5	C	-0.178
6	H	0.102
7	H	0.111
8	C	-0.266
9	H	0.114
10	H	0.118
11	N	-0.535
12	H	0.236
13	H	0.227
14	C	0.518
15	O	-0.474

	x	y	z	Total
	0.053	-3.713	0.314	3.727
CHELPG
AIM
ESP

	x	y	z
x	8.647	-0.214	-0.027
y	-0.214	7.857	0.004
z	-0.027	0.004	6.001

<r²>	216.819
(<r²>)^1/2	14.725

All results from a given calculation for C4H9NO (Butanamide)

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

States and conformations

All results from a given calculation for C₄H₉NO (Butanamide)