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	hartrees
Energy at 0K	-286.976705
Energy at 298.15K	-286.987136
HF Energy	-286.062776
Nuclear repulsion energy	238.873753

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3833	3589	40.52
2	A	3683	3449	46.00
3	A	3222	3017	29.46
4	A	3221	3017	45.50
5	A	3201	2998	0.29
6	A	3164	2963	13.87
7	A	3145	2945	18.91
8	A	3123	2924	23.77
9	A	3111	2914	13.98
10	A	1815	1700	234.55
11	A	1663	1557	105.83
12	A	1566	1467	3.86
13	A	1561	1462	5.86
14	A	1549	1451	2.59
15	A	1523	1426	5.89
16	A	1469	1375	20.35
17	A	1462	1369	46.31
18	A	1400	1311	42.26
19	A	1360	1274	23.05
20	A	1298	1216	47.32
21	A	1293	1211	7.75
22	A	1171	1096	0.56
23	A	1151	1078	1.17
24	A	1106	1036	0.49
25	A	1088	1019	3.63
26	A	961	900	2.44
27	A	909	851	0.59
28	A	875	819	2.75
29	A	767	718	4.92
30	A	674	631	16.66
31	A	600	562	9.11
32	A	523	490	20.84
33	A	436	408	4.36
34	A	351	328	2.30
35	A	258	242	0.55
36	A	238	223	247.80
37	A	189	177	6.94
38	A	96	90	1.64
39	A	28	26	0.91

Atom	x (Å)	y (Å)	z (Å)
C1	-2.721	-0.211	0.025
H2	-2.863	-0.436	1.082
H3	-3.511	0.473	-0.281
H4	-2.848	-1.140	-0.533
C5	-1.344	0.395	-0.222
H6	-1.230	0.645	-1.278
H7	-1.231	1.329	0.327
C8	-0.218	-0.543	0.192
H9	-0.261	-1.472	-0.382
H10	-0.334	-0.825	1.243
N11	2.193	-0.778	-0.078
H12	3.103	-0.387	-0.255
H13	2.037	-1.741	-0.316
C14	1.150	0.102	0.043
O15	1.323	1.319	0.089

	C1	H2	H3	H4	C5	H6	H7	C8	H9	H10	N11	H12	H13	C14	O15
C1		1.0903	1.0892	1.0905	1.5236	2.1569	2.1636	2.5301	2.7937	2.7489	4.9474	5.8329	5.0089	3.8835	4.3235
H2	1.0903		1.7617	1.7616	2.1672	3.0670	2.5197	2.7932	3.1608	2.5642	5.1992	6.1147	5.2604	4.1808	4.6465
H3	1.0892	1.7617		1.7614	2.1689	2.4954	2.5100	3.4786	3.7889	3.7550	5.8433	6.6696	5.9733	4.6872	4.9211
H4	1.0905	1.7616	1.7614		2.1707	2.5216	3.0735	2.7928	2.6126	3.0941	5.0747	6.0050	4.9267	4.2262	4.8812
C5	1.5236	2.1672	2.1689	2.1707		1.0916	1.0892	1.5229	2.1644	2.1571	3.7297	4.5156	4.0001	2.5256	2.8397
H6	2.1569	3.0670	2.4954	2.5216	1.0916		1.7444	2.1439	2.4946	3.0525	3.8965	4.5697	4.1577	2.7756	2.9727
H7	2.1636	2.5197	2.5100	3.0735	1.0892	1.7444		2.1326	3.0480	2.5064	4.0409	4.6974	4.5293	2.6937	2.5650
C8	2.5301	2.7932	3.4786	2.7928	1.5229	2.1439	2.1326		1.0936	1.0942	2.4375	3.3546	2.6033	1.5200	2.4187
H9	2.7937	3.1608	3.7889	2.6126	2.1644	2.4946	3.0480	1.0936		1.7513	2.5688	3.5374	2.3147	2.1569	3.2436
H10	2.7489	2.5642	3.7550	3.0941	2.1571	3.0525	2.5064	1.0942	1.7513		2.8519	3.7750	2.9819	2.1220	2.9449
N11	4.9474	5.1992	5.8433	5.0747	3.7297	3.8965	4.0409	2.4375	2.5688	2.8519		1.0064	1.0038	1.3701	2.2765
H12	5.8329	6.1147	6.6696	6.0050	4.5156	4.5697	4.6974	3.3546	3.5374	3.7750	1.0064		1.7245	2.0349	2.4890
H13	5.0089	5.2604	5.9733	4.9267	4.0001	4.1577	4.5293	2.6033	2.3147	2.9819	1.0038	1.7245		2.0762	3.1675
C14	3.8835	4.1808	4.6872	4.2262	2.5256	2.7756	2.6937	1.5200	2.1569	2.1220	1.3701	2.0349	2.0762		1.2296
O15	4.3235	4.6465	4.9211	4.8812	2.8397	2.9727	2.5650	2.4187	3.2436	2.9449	2.2765	2.4890	3.1675	1.2296

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C5	H6	110.027	C1	C5	H7	110.702
C1	C5	C8	112.297	H2	C1	H3	107.859
H2	C1	H4	107.761	H2	C1	C5	110.923
H3	C1	H4	107.827	H3	C1	C5	111.125
H4	C1	C5	111.191	C5	C8	H9	110.557
C5	C8	H10	109.940	C5	C8	C14	112.202
H6	C5	H7	106.242	H6	C5	C8	109.054
H7	C5	C8	108.315	C8	C14	N11	114.907
C8	C14	O15	122.856	H9	C8	H10	106.354
H9	C8	C14	110.164	H10	C8	C14	107.409
N11	C14	O15	122.153	H12	N11	H13	118.162
H12	N11	C14	116.975	H13	N11	C14	121.227

All results from a given calculation for C₄H₉NO (Butanamide)

using model chemistry: MP2/6-31G**

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: MP2/6-31G**

States and conformations

All results from a given calculation for C₄H₉NO (Butanamide)