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	hartrees
Energy at 0K	-286.519329
Energy at 298.15K	-286.529891
HF Energy	-285.918800
Nuclear repulsion energy	235.659057

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3759	3596	32.87
2	A	3612	3456	43.39
3	A	3143	3007	59.89
4	A	3140	3005	39.98
5	A	3119	2985	1.36
6	A	3081	2948	18.95
7	A	3076	2943	13.15
8	A	3052	2920	28.10
9	A	3036	2905	16.05
10	A	1721	1647	219.28
11	A	1675	1602	62.34
12	A	1580	1511	7.48
13	A	1574	1506	6.78
14	A	1567	1499	2.87
15	A	1550	1483	6.44
16	A	1486	1422	1.28
17	A	1447	1384	45.37
18	A	1402	1341	87.65
19	A	1367	1308	7.34
20	A	1321	1264	77.83
21	A	1310	1253	4.76
22	A	1170	1119	0.44
23	A	1165	1115	1.82
24	A	1098	1051	1.46
25	A	1078	1031	1.71
26	A	953	912	4.31
27	A	931	891	0.76
28	A	861	824	1.78
29	A	778	744	7.79
30	A	642	614	43.76
31	A	611	585	28.47
32	A	519	497	60.71
33	A	440	421	4.23
34	A	389	372	256.01
35	A	351	336	3.70
36	A	245	235	0.01
37	A	188	180	8.61
38	A	92	88	0.59
39	A	18	18	2.56

Atom	x (Å)	y (Å)	z (Å)
C1	-2.756	-0.236	0.012
H2	-2.892	-0.657	1.020
H3	-3.561	0.491	-0.162
H4	-2.874	-1.053	-0.715
C5	-1.371	0.434	-0.123
H6	-1.263	0.877	-1.125
H7	-1.272	1.262	0.592
C8	-0.217	-0.565	0.110
H9	-0.275	-1.385	-0.627
H10	-0.322	-1.030	1.106
N11	2.233	-0.779	-0.067
H12	3.169	-0.396	-0.100
H13	2.115	-1.781	-0.113
C14	1.164	0.093	0.025
O15	1.328	1.347	0.056

	C1	H2	H3	H4	C5	H6	H7	C8	H9	H10	N11	H12	H13	C14	O15
C1		1.1002	1.0988	1.1002	1.5452	2.1823	2.1866	2.5625	2.8080	2.7844	5.0201	5.9283	5.1122	3.9339	4.3808
H2	1.1002		1.7785	1.7795	2.1937	3.0994	2.5475	2.8271	3.1761	2.5986	5.2410	6.1690	5.2554	4.2429	4.7705
H3	1.0988	1.7785		1.7784	2.1920	2.5215	2.5300	3.5177	3.8124	3.7967	5.9333	6.7885	6.1145	4.7455	4.9686
H4	1.1002	1.7795	1.7784		2.1953	2.5468	3.1031	2.8245	2.6213	3.1354	5.1556	6.1091	5.0778	4.2615	4.8999
C5	1.5452	2.1937	2.1920	2.1953		1.1002	1.0985	1.5434	2.1816	2.1799	3.8031	4.6144	4.1295	2.5613	2.8546
H6	2.1823	3.0994	2.5215	2.5468	1.1002		1.7589	2.1674	2.5178	3.0817	4.0110	4.7232	4.4157	2.7973	2.8858
H7	2.1866	2.5475	2.5300	3.1031	1.0985	1.7589		2.1639	3.0792	2.5333	4.1098	4.7905	4.6073	2.7608	2.6566
C8	2.5625	2.8271	3.5177	2.8245	1.5434	2.1674	2.1639		1.1036	1.1040	2.4663	3.3964	2.6395	1.5316	2.4588
H9	2.8080	3.1761	3.8124	2.6213	2.1816	2.5178	3.0792	1.1036		1.7692	2.6407	3.6213	2.4768	2.1626	3.2400
H10	2.7844	2.5986	3.7967	3.1354	2.1799	3.0817	2.5333	1.1040	1.7692		2.8228	3.7470	2.8265	2.1528	3.0779
N11	5.0201	5.2410	5.9333	5.1556	3.8031	4.0110	4.1098	2.4663	2.6407	2.8228		1.0112	1.0092	1.3832	2.3142
H12	5.9283	6.1690	6.7885	6.1091	4.6144	4.7232	4.7905	3.3964	3.6213	3.7470	1.0112		1.7398	2.0675	2.5395
H13	5.1122	5.2554	6.1145	5.0778	4.1295	4.4157	4.6073	2.6395	2.4768	2.8265	1.0092	1.7398		2.1055	3.2293
C14	3.9339	4.2429	4.7455	4.2615	2.5613	2.7973	2.7608	1.5316	2.1626	2.1528	1.3832	2.0675	2.1055		1.2654
O15	4.3808	4.7705	4.9686	4.8999	2.8546	2.8858	2.6566	2.4588	3.2400	3.0779	2.3142	2.5395	3.2293	1.2654

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C5	H6	110.019	C1	C5	H7	110.459
C1	C5	C8	112.124	H2	C1	H3	107.963
H2	C1	H4	107.949	H2	C1	C5	110.927
H3	C1	H4	107.947	H3	C1	C5	110.871
H4	C1	C5	111.052	C5	C8	H9	109.894
C5	C8	H10	109.742	C5	C8	C14	112.799
H6	C5	H7	106.252	H6	C5	C8	108.989
H7	C5	C8	108.812	C8	C14	N11	115.488
C8	C14	O15	122.778	H9	C8	H10	106.535
H9	C8	C14	109.222	H10	C8	C14	108.444
N11	C14	O15	121.726	H12	N11	H13	118.876
H12	N11	C14	118.590	H13	N11	C14	122.530

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)