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	hartrees
Energy at 0K	-287.746582
Energy at 298.15K	-287.756725
Nuclear repulsion energy	235.708853

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3624	3604	25.40
2	A	3482	3464	18.90
3	A	3027	3011	56.64
4	A	3023	3007	43.12
5	A	3003	2988	5.06
6	A	2983	2967	19.20
7	A	2960	2944	41.47
8	A	2953	2938	30.37
9	A	2946	2930	12.57
10	A	1681	1673	320.12
11	A	1574	1566	88.54
12	A	1475	1467	7.11
13	A	1468	1460	8.39
14	A	1462	1454	1.93
15	A	1439	1431	5.90
16	A	1380	1373	0.95
17	A	1351	1344	50.57
18	A	1318	1311	29.43
19	A	1279	1272	30.37
20	A	1238	1231	59.03
21	A	1214	1207	26.18
22	A	1099	1093	1.86
23	A	1079	1073	3.79
24	A	1023	1018	4.69
25	A	1007	1001	3.94
26	A	890	885	2.19
27	A	861	856	1.25
28	A	822	818	2.70
29	A	734	730	2.90
30	A	668	665	3.62
31	A	586	583	9.82
32	A	515	513	9.02
33	A	413	411	2.52
34	A	326	324	1.13
35	A	242	241	0.19
36	A	189	188	113.90
37	A	179	178	87.05
38	A	90	89	2.37
39	A	43	43	4.91

Atom	x (Å)	y (Å)	z (Å)
C1	-2.762	-0.167	0.022
H2	-2.949	-0.020	1.100
H3	-3.534	0.395	-0.530
H4	-2.908	-1.238	-0.200
C5	-1.347	0.308	-0.370
H6	-1.200	0.186	-1.459
H7	-1.231	1.383	-0.159
C8	-0.229	-0.457	0.380
H9	-0.278	-1.536	0.147
H10	-0.388	-0.360	1.470
N11	2.148	-0.828	-0.202
H12	3.100	-0.502	-0.358
H13	1.966	-1.827	-0.208
C14	1.172	0.107	0.086
O15	1.423	1.321	0.113

	C1	H2	H3	H4	C5	H6	H7	C8	H9	H10	N11	H12	H13	C14	O15
C1		1.1037	1.1024	1.1040	1.5436	2.1807	2.1862	2.5750	2.8394	2.7879	4.9599	5.8842	5.0168	3.9441	4.4425
H2	1.1037		1.7806	1.7818	2.1989	3.1056	2.5503	2.8473	3.2156	2.6098	5.3224	6.2408	5.3975	4.2453	4.6779
H3	1.1024	1.7806		1.7802	2.1945	2.5200	2.5331	3.5322	3.8454	3.8034	5.8213	6.6964	5.9406	4.7543	5.0831
H4	1.1040	1.7818	1.7802		2.2039	2.5552	3.1122	2.8499	2.6690	3.1480	5.0727	6.0549	4.9094	4.3052	5.0399
C5	1.5436	2.1989	2.1945	2.2039		1.1049	1.1018	1.5487	2.1935	2.1799	3.6788	4.5201	3.9447	2.5674	2.9883
H6	2.1807	3.1056	2.5200	2.5552	1.1049		1.7675	2.1767	2.5287	3.0879	3.7175	4.4920	3.9552	2.8318	3.2617
H7	2.1862	2.5503	2.5331	3.1122	1.1018	1.7675		2.1638	3.0863	2.5301	4.0383	4.7277	4.5309	2.7315	2.6684
C8	2.5750	2.8473	3.5322	2.8499	1.5487	2.1767	2.1638		1.1049	1.1059	2.4752	3.4102	2.6532	1.5385	2.4416
H9	2.8394	3.2156	3.8454	2.6690	2.1935	2.5287	3.0863	1.1049		1.7741	2.5519	3.5691	2.2908	2.1926	3.3253
H10	2.7879	2.6098	3.8034	3.1480	2.1799	3.0879	2.5301	1.1059	1.7741		3.0736	3.9406	3.2419	2.1367	2.8185
N11	4.9599	5.3224	5.8213	5.0727	3.6788	3.7175	4.0383	2.4752	2.5519	3.0736		1.0180	1.0158	1.3822	2.2892
H12	5.8842	6.2408	6.6964	6.0549	4.5201	4.4920	4.7277	3.4102	3.5691	3.9406	1.0180		1.7504	2.0704	2.5213
H13	5.0168	5.3975	5.9406	4.9094	3.9447	3.9552	4.5309	2.6532	2.2908	3.2419	1.0158	1.7504		2.1114	3.2102
C14	3.9441	4.2453	4.7543	4.3052	2.5674	2.8318	2.7315	1.5385	2.1926	2.1367	1.3822	2.0704	2.1114		1.2395
O15	4.4425	4.6779	5.0831	5.0399	2.9883	3.2617	2.6684	2.4416	3.3253	2.8185	2.2892	2.5213	3.2102	1.2395

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C5	H6	109.737	C1	C5	H7	110.352
C1	C5	C8	112.755	H2	C1	H3	107.628
H2	C1	H4	107.623	H2	C1	C5	111.234
H3	C1	H4	107.579	H3	C1	C5	110.965
H4	C1	C5	111.622	C5	C8	H9	110.384
C5	C8	H10	109.270	C5	C8	C14	112.530
H6	C5	H7	106.439	H6	C5	C8	109.079
H7	C5	C8	108.268	C8	C14	N11	115.775
C8	C14	O15	122.655	H9	C8	H10	106.734
H9	C8	C14	111.018	H10	C8	C14	106.657
N11	C14	O15	121.568	H12	N11	H13	118.780
H12	N11	C14	118.434	H13	N11	C14	122.676

All results from a given calculation for C₄H₉NO (Butanamide)

using model chemistry: BLYP/6-31+G**

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	-0.605
2	H	0.145
3	H	0.147
4	H	0.141
5	C	-0.079
6	H	0.139
7	H	0.174
8	C	-0.322
9	H	0.116
10	H	0.165
11	N	-0.513
12	H	0.306
13	H	0.281
14	C	0.400
15	O	-0.496

	x	y	z	Total
	-0.140	-3.688	-0.224	3.697
CHELPG
AIM
ESP

	x	y	z
x	0.000	0.000	0.000
y	0.000	0.000	0.000
z	0.000	0.000	0.000

<r²>	222.515
(<r²>)^1/2	14.917

All results from a given calculation for C4H9NO (Butanamide)

using model chemistry: BLYP/6-31+G**

States and conformations

All results from a given calculation for C₄H₉NO (Butanamide)