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	hartrees
Energy at 0K	-52.991114
Energy at 298.15K	-53.001615
HF Energy	-52.454838
Nuclear repulsion energy	134.929045

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3767	3640	29.12
2	A	3605	3483	43.22
3	A	3150	3044	70.49
4	A	3145	3039	5.53
5	A	3131	3026	77.33
6	A	3127	3022	28.79
7	A	3058	2955	45.82
8	A	3028	2926	26.65
9	A	3028	2926	53.07
10	A	1692	1635	191.34
11	A	1629	1574	104.28
12	A	1536	1485	14.34
13	A	1530	1478	13.21
14	A	1521	1470	3.84
15	A	1514	1463	0.20
16	A	1456	1407	19.87
17	A	1439	1390	6.04
18	A	1432	1384	43.33
19	A	1356	1310	1.24
20	A	1296	1252	153.62
21	A	1224	1183	12.02
22	A	1143	1105	10.51
23	A	1142	1104	1.38
24	A	1079	1043	11.83
25	A	993	960	0.13
26	A	955	923	3.49
27	A	929	898	0.88
28	A	753	727	1.27
29	A	730	705	17.05
30	A	610	589	109.39
31	A	597	577	3.69
32	A	465	449	3.04
33	A	450	435	239.80
34	A	318	308	0.72
35	A	281	271	5.94
36	A	236	228	4.31
37	A	230	222	2.54
38	A	207	200	0.96
39	A	30	29	8.41

Atom	x (Å)	y (Å)	z (Å)
C1	-1.395	-1.297	-0.024
H2	-0.861	-2.213	-0.357
H3	-1.475	-1.321	1.083
H4	-2.417	-1.304	-0.461
C5	-1.395	1.297	-0.019
H6	-0.861	2.214	-0.350
H7	-1.474	1.318	1.087
C8	-0.629	0.001	-0.474
H9	-0.540	0.003	-1.586
N10	1.862	0.002	-0.798
H11	2.819	0.001	-0.446
H12	1.701	0.004	-1.803
C13	0.803	-0.000	0.132
O14	1.024	-0.003	1.398
H15	-2.416	1.307	-0.456

	C1	H2	H3	H4	C5	H6	H7	C8	H9	N10	H11	H12	C13	O14	H15
C1		1.1115	1.1095	1.1113	2.5939	3.5663	2.8416	1.5726	2.2043	3.5905	4.4301	3.8001	2.5563	3.0900	2.8299
H2	1.1115		1.8016	1.8042	3.5663	4.4271	3.8634	2.2289	2.5536	3.5374	4.2963	3.6834	2.8112	3.3941	3.8491
H3	1.1095	1.8016		1.8083	2.8415	3.8633	2.6383	2.2103	3.1217	4.0521	4.7463	4.4907	2.7992	2.8430	3.1872
H4	1.1113	1.8042	1.8083		2.8300	3.8491	3.1875	2.2134	2.5484	4.4861	5.3966	4.5239	3.5237	4.1219	2.6113
C5	2.5939	3.5663	2.8415	2.8300		1.1115	1.1095	1.5726	2.2043	3.5900	4.4294	3.7994	2.5562	3.0903	1.1113
H6	3.5663	4.4271	3.8633	3.8491	1.1115		1.8016	2.2289	2.5536	3.5365	4.2953	3.6821	2.8111	3.3947	1.8042
H7	2.8416	3.8634	2.6383	3.1875	1.1095	1.8016		2.2103	3.1217	4.0514	4.7456	4.4899	2.7990	2.8432	1.8082
C8	1.5726	2.2289	2.2103	2.2134	1.5726	2.2289	2.2103		1.1151	2.5120	3.4489	2.6823	1.5548	2.4979	2.2134
H9	2.2043	2.5536	3.1217	2.5484	2.2043	2.5536	3.1217	1.1151		2.5280	3.5479	2.2516	2.1802	3.3691	2.5485
N10	3.5905	3.5374	4.0521	4.4861	3.5900	3.5365	4.0514	2.5120	2.5280		1.0203	1.0178	1.4091	2.3502	4.4857
H11	4.4301	4.2963	4.7463	5.3966	4.4294	4.2953	4.7456	3.4489	3.5479	1.0203		1.7585	2.0980	2.5736	5.3961
H12	3.8001	3.6834	4.4907	4.5239	3.7994	3.6821	4.4899	2.6823	2.2516	1.0178	1.7585		2.1328	3.2716	4.5234
C13	2.5563	2.8112	2.7992	3.5237	2.5562	2.8111	2.7990	1.5548	2.1802	1.4091	2.0980	2.1328		1.2857	3.5236
O14	3.0900	3.3941	2.8430	4.1219	3.0903	3.3947	2.8432	2.4979	3.3691	2.3502	2.5736	3.2716	1.2857		4.1221
H15	2.8299	3.8491	3.1872	2.6113	1.1113	1.8042	1.8082	2.2134	2.5485	4.4857	5.3961	4.5234	3.5236	4.1221

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C8	C5	111.121	C1	C8	H9	109.011
C1	C8	C13	109.647	H2	C1	H3	108.418
H2	C1	H4	108.518	H2	C1	C8	111.119
H3	C1	H4	109.024	H3	C1	C8	109.792
H4	C1	C8	109.923	C5	C8	H9	109.010
C5	C8	C13	109.641	H6	C5	H7	108.420
H6	C5	C8	111.118	H6	C5	H15	108.518
H7	C5	C8	109.791	H7	C5	H15	109.023
C8	C5	H15	109.924	C8	C13	N10	115.797
C8	C13	O14	122.858	H9	C8	C13	108.358
N10	C13	O14	121.345	H11	N10	H12	119.267
H11	N10	C13	118.560	H12	N10	C13	122.173

All results from a given calculation for C₄H₉NO (Propanamide, 2-methyl-)

using model chemistry: MP2/CEP-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 (Propanamide, 2-methyl-)

using model chemistry: MP2/CEP-31G

States and conformations

All results from a given calculation for C₄H₉NO (Propanamide, 2-methyl-)