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	hartrees
Energy at 0K	-286.937420
Energy at 298.15K	-286.947961
HF Energy	-286.044506
Nuclear repulsion energy	238.718588

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3764	3533	34.18
2	A	3644	3420	40.63
3	A	3179	2984	41.55
4	A	3179	2983	40.17
5	A	3157	2963	1.85
6	A	3126	2934	13.99
7	A	3120	2929	9.88
8	A	3095	2905	23.52
9	A	3079	2890	13.36
10	A	1883	1767	270.19
11	A	1683	1579	122.80
12	A	1569	1472	6.05
13	A	1561	1465	7.31
14	A	1553	1458	2.68
15	A	1536	1442	5.63
16	A	1487	1396	69.77
17	A	1476	1385	9.69
18	A	1407	1320	61.68
19	A	1366	1282	0.32
20	A	1304	1224	55.16
21	A	1298	1218	0.41
22	A	1182	1110	1.67
23	A	1158	1087	1.21
24	A	1128	1058	1.13
25	A	1094	1027	2.23
26	A	966	907	2.81
27	A	920	864	1.34
28	A	880	826	1.90
29	A	773	726	8.64
30	A	641	602	34.58
31	A	628	589	11.56
32	A	501	470	32.91
33	A	447	420	10.52
34	A	358	336	98.38
35	A	350	329	162.77
36	A	252	237	0.02
37	A	187	176	8.43
38	A	97	91	0.49
39	A	21	19	2.10

Atom	x (Å)	y (Å)	z (Å)
C1	-2.726	-0.241	0.004
H2	-2.853	-0.819	0.927
H3	-3.535	0.494	-0.044
H4	-2.848	-0.929	-0.840
C5	-1.360	0.444	-0.034
H6	-1.261	1.040	-0.947
H7	-1.263	1.148	0.798
C8	-0.214	-0.561	0.029
H9	-0.273	-1.267	-0.810
H10	-0.291	-1.169	0.942
N11	2.216	-0.765	-0.076
H12	3.128	-0.365	0.089
H13	2.094	-1.734	0.175
C14	1.154	0.103	0.008
O15	1.309	1.311	0.025

	C1	H2	H3	H4	C5	H6	H7	C8	H9	H10	N11	H12	H13	C14	O15
C1		1.0957	1.0942	1.0956	1.5281	2.1665	2.1675	2.5325	2.7815	2.7694	4.9701	5.8563	5.0494	3.8952	4.3235
H2	1.0957		1.7693	1.7699	2.1781	3.0822	2.5317	2.7992	3.1426	2.5856	5.1669	6.0565	5.0870	4.2125	4.7613
H3	1.0942	1.7693		1.7694	2.1752	2.5073	2.5093	3.4854	3.7861	3.7763	5.8870	6.7198	6.0585	4.7055	4.9130
H4	1.0956	1.7699	1.7694		2.1784	2.5316	3.0830	2.7977	2.5979	3.1258	5.1237	6.0744	5.1095	4.2189	4.8007
C5	1.5281	2.1781	2.1752	2.1784		1.0947	1.0942	1.5257	2.1710	2.1672	3.7751	4.5626	4.0895	2.5377	2.8076
H6	2.1665	3.0822	2.5073	2.5316	1.0947		1.7477	2.1474	2.5140	3.0638	4.0128	4.7233	4.4960	2.7606	2.7607
H7	2.1675	2.5317	2.5093	3.0830	1.0942	1.7477		2.1474	3.0657	2.5161	4.0647	4.6981	4.4683	2.7488	2.6907
C8	2.5325	2.7992	3.4854	2.7977	1.5257	2.1474	2.1474		1.0982	1.0996	2.4405	3.3487	2.5937	1.5207	2.4136
H9	2.7815	3.1426	3.7861	2.5979	2.1710	2.5140	3.0657	1.0982		1.7552	2.6425	3.6317	2.6061	2.1406	3.1380
H10	2.7694	2.5856	3.7763	3.1258	2.1672	3.0638	2.5161	1.0996	1.7552		2.7353	3.6147	2.5687	2.1392	3.0904
N11	4.9701	5.1669	5.8870	5.1237	3.7751	4.0128	4.0647	2.4405	2.6425	2.7353		1.0102	1.0087	1.3739	2.2675
H12	5.8563	6.0565	6.7198	6.0744	4.5626	4.7233	4.6981	3.3487	3.6317	3.6147	1.0102		1.7184	2.0306	2.4741
H13	5.0494	5.0870	6.0585	5.1095	4.0895	4.4960	4.4683	2.5937	2.6061	2.5687	1.0087	1.7184		2.0707	3.1486
C14	3.8952	4.2125	4.7055	4.2189	2.5377	2.7606	2.7488	1.5207	2.1406	2.1392	1.3739	2.0306	2.0707		1.2183
O15	4.3235	4.7613	4.9130	4.8007	2.8076	2.7607	2.6907	2.4136	3.1380	3.0904	2.2675	2.4741	3.1486	1.2183

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C5	H6	110.290	C1	C5	H7	110.399
C1	C5	C8	112.046	H2	C1	H3	107.795
H2	C1	H4	107.742	H2	C1	C5	111.150
H3	C1	H4	107.807	H3	C1	C5	111.008
H4	C1	C5	111.179	C5	C8	H9	110.604
C5	C8	H10	110.221	C5	C8	C14	112.818
H6	C5	H7	105.966	H6	C5	C8	108.959
H7	C5	C8	108.983	C8	C14	N11	114.850
C8	C14	O15	123.195	H9	C8	H10	105.993
H9	C8	C14	108.568	H10	C8	C14	108.378
N11	C14	O15	121.921	H12	N11	H13	116.679
H12	N11	C14	115.970	H13	N11	C14	119.930

All results from a given calculation for C₄H₉NO (Butanamide)

using model chemistry: MP3/6-31G*

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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All results from a given calculation for C4H9NO (Butanamide)

using model chemistry: MP3/6-31G*

States and conformations

All results from a given calculation for C₄H₉NO (Butanamide)