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	hartrees
Energy at 0K	-52.462953
Energy at 298.15K	-52.473953
Nuclear repulsion energy	137.703980

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	4011	3616	47.65
2	A	3851	3471	55.40
3	A	3324	2996	95.02
4	A	3316	2989	5.28
5	A	3289	2965	112.41
6	A	3283	2960	38.69
7	A	3237	2918	55.26
8	A	3210	2893	29.60
9	A	3208	2891	77.22
10	A	1822	1642	361.80
11	A	1790	1613	105.95
12	A	1651	1488	18.84
13	A	1640	1478	12.65
14	A	1632	1471	3.25
15	A	1626	1465	2.05
16	A	1569	1415	28.08
17	A	1559	1406	54.55
18	A	1552	1399	3.95
19	A	1466	1321	0.05
20	A	1406	1268	184.74
21	A	1315	1185	10.46
22	A	1237	1115	21.52
23	A	1230	1109	0.02
24	A	1188	1071	9.23
25	A	1066	961	0.27
26	A	1036	934	4.83
27	A	992	894	0.47
28	A	837	754	72.37
29	A	819	739	0.19
30	A	665	599	223.91
31	A	657	592	10.21
32	A	554	499	133.80
33	A	506	456	4.88
34	A	345	311	0.88
35	A	305	275	9.47
36	A	256	231	2.31
37	A	255	230	4.62
38	A	232	209	1.04
39	A	24	22	10.32

Atom	x (Å)	y (Å)	z (Å)
C1	1.355	1.277	-0.033
H2	0.835	2.181	-0.351
H3	1.452	1.305	1.050
H4	2.352	1.286	-0.473
C5	1.355	-1.277	-0.034
H6	0.835	-2.180	-0.353
H7	1.452	-1.306	1.049
C8	0.596	0.000	-0.470
H9	0.497	0.001	-1.555
N10	-1.870	0.000	-0.718
H11	-2.793	0.000	-0.338
H12	-1.752	0.001	-1.706
C13	-0.805	-0.000	0.151
O14	-0.982	-0.001	1.381
H15	2.352	-1.285	-0.474

	C1	H2	H3	H4	C5	H6	H7	C8	H9	N10	H11	H12	C13	O14	H15
C1		1.0904	1.0872	1.0897	2.5539	3.5110	2.8018	1.5484	2.1639	3.5355	4.3513	3.7525	2.5158	3.0155	2.7845
H2	1.0904		1.7637	1.7653	3.5110	4.3613	3.8076	2.1968	2.5132	3.4935	4.2332	3.6439	2.7743	3.3259	3.7854
H3	1.0872	1.7637		1.7692	2.8018	3.8076	2.6110	2.1780	3.0656	3.9826	4.6532	4.4226	2.7575	2.7817	3.1373
H4	1.0897	1.7653	1.7692		2.7845	3.7854	3.1374	2.1762	2.5021	4.4197	5.3051	4.4731	3.4649	4.0258	2.5710
C5	2.5539	3.5110	2.8018	2.7845		1.0904	1.0872	1.5483	2.1639	3.5356	4.3516	3.7529	2.5158	3.0154	1.0897
H6	3.5110	4.3613	3.8076	3.7854	1.0904		1.7637	2.1968	2.5131	3.4938	4.2337	3.6445	2.7744	3.3259	1.7653
H7	2.8018	3.8076	2.6110	3.1374	1.0872	1.7637		2.1779	3.0656	3.9826	4.6533	4.4228	2.7574	2.7815	1.7692
C8	1.5484	2.1968	2.1780	2.1762	1.5483	2.1968	2.1779		1.0901	2.4783	3.3919	2.6535	1.5317	2.4319	2.1761
H9	2.1639	2.5132	3.0656	2.5021	2.1639	2.5131	3.0656	1.0901		2.5109	3.5085	2.2541	2.1459	3.2878	2.5022
N10	3.5355	3.4935	3.9826	4.4197	3.5356	3.4938	3.9826	2.4783	2.5109		0.9985	0.9955	1.3744	2.2792	4.4199
H11	4.3513	4.2332	4.6532	5.3051	4.3516	4.2337	4.6533	3.3919	3.5085	0.9985		1.7194	2.0481	2.4978	5.3053
H12	3.7525	3.6439	4.4226	4.4731	3.7529	3.6445	4.4228	2.6535	2.2541	0.9955	1.7194		2.0846	3.1820	4.4735
C13	2.5158	2.7743	2.7575	3.4649	2.5158	2.7744	2.7574	1.5317	2.1459	1.3744	2.0481	2.0846		1.2432	3.4649
O14	3.0155	3.3259	2.7817	4.0258	3.0154	3.3259	2.7815	2.4319	3.2878	2.2792	2.4978	3.1820	1.2432		4.0257
H15	2.7845	3.7854	3.1373	2.5710	1.0897	1.7653	1.7692	2.1761	2.5022	4.4199	5.3053	4.4735	3.4649	4.0257

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C8	C5	111.120	C1	C8	H9	108.963
C1	C8	C13	109.529	H2	C1	H3	108.181
H2	C1	H4	108.143	H2	C1	C8	111.542
H3	C1	H4	108.727	H3	C1	C8	110.231
H4	C1	C8	109.939	C5	C8	H9	108.963
C5	C8	C13	109.531	H6	C5	H7	108.181
H6	C5	C8	111.542	H6	C5	H15	108.143
H7	C5	C8	110.231	H7	C5	H15	108.726
C8	C5	H15	109.939	C8	C13	N10	116.922
C8	C13	O14	122.077	H9	C8	C13	108.693
N10	C13	O14	121.001	H11	N10	H12	119.153
H11	N10	C13	118.467	H12	N10	C13	122.379

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

using model chemistry: HF/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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Number	Element	Mulliken
1	C	-0.386
2	H	0.118
3	H	0.146
4	H	0.121
5	C	-0.386
6	H	0.118
7	H	0.146
8	C	0.044
9	H	0.074
10	N	-0.578
11	H	0.366
12	H	0.354
13	C	0.035
14	O	-0.292
15	H	0.121

	x	y	z	Total
	0.239	0.003	-4.568	4.574
CHELPG
AIM
ESP

	x	y	z
x	7.416	-0.000	0.248
y	-0.000	6.208	-0.001
z	0.248	-0.001	7.335

<r²>	145.913
(<r²>)^1/2	12.079

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

using model chemistry: HF/CEP-31G

States and conformations

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