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	hartrees
Energy at 0K	-287.784755
Energy at 298.15K	-287.795059
Nuclear repulsion energy	248.843260

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3763	3613	35.62
2	A	3621	3476	35.29
3	A	3139	3014	32.47
4	A	3136	3011	3.24
5	A	3125	3000	41.08
6	A	3123	2998	18.65
7	A	3050	2928	14.76
8	A	3048	2926	34.60
9	A	3038	2916	36.41
10	A	1808	1736	282.89
11	A	1619	1555	129.96
12	A	1512	1452	20.00
13	A	1494	1434	12.09
14	A	1488	1428	1.81
15	A	1478	1419	1.38
16	A	1419	1362	77.49
17	A	1398	1342	5.47
18	A	1383	1328	6.22
19	A	1325	1272	0.85
20	A	1281	1230	84.20
21	A	1193	1145	2.36
22	A	1132	1087	4.90
23	A	1130	1085	0.08
24	A	1058	1016	5.95
25	A	977	938	0.21
26	A	927	890	3.15
27	A	923	887	2.31
28	A	781	750	5.38
29	A	763	732	4.03
30	A	613	588	6.30
31	A	601	577	12.99
32	A	470	451	3.17
33	A	319	306	0.74
34	A	285	274	4.10
35	A	242	232	6.48
36	A	241	232	9.99
37	A	223	214	67.93
38	A	208	199	111.43
39	A	21	20	8.79

Atom	x (Å)	y (Å)	z (Å)
C1	1.345	1.259	-0.026
H2	0.848	2.164	-0.380
H3	1.373	1.292	1.064
H4	2.369	1.261	-0.403
C5	1.345	-1.259	-0.025
H6	0.849	-2.164	-0.379
H7	1.373	-1.291	1.065
C8	0.609	-0.000	-0.476
H9	0.530	-0.000	-1.569
N10	-1.817	-0.000	-0.747
H11	-2.757	-0.000	-0.388
H12	-1.672	-0.001	-1.739
C13	-0.785	-0.000	0.136
O14	-0.956	0.000	1.338
H15	2.369	-1.261	-0.402

	C1	H2	H3	H4	C5	H6	H7	C8	H9	N10	H11	H12	C13	O14	H15
C1		1.0916	1.0907	1.0915	2.5171	3.4764	2.7736	1.5260	2.1519	3.4792	4.3057	3.6910	2.4795	2.9559	2.7457
H2	1.0916		1.7663	1.7689	3.4764	4.3281	3.7818	2.1794	2.4899	3.4532	4.2048	3.5897	2.7601	3.2997	3.7474
H3	1.0907	1.7663		1.7735	2.7736	3.7818	2.5836	2.1509	3.0518	3.8896	4.5643	4.3361	2.6810	2.6772	3.1081
H4	1.0915	1.7689	1.7735		2.7457	3.7474	3.1081	2.1664	2.5167	4.3859	5.2788	4.4395	3.4396	3.9594	2.5217
C5	2.5171	3.4764	2.7736	2.7457		1.0916	1.0907	1.5260	2.1519	3.4794	4.3058	3.6909	2.4795	2.9561	1.0915
H6	3.4764	4.3281	3.7818	3.7474	1.0916		1.7663	2.1794	2.4900	3.4534	4.2050	3.5896	2.7600	3.3000	1.7689
H7	2.7736	3.7818	2.5836	3.1081	1.0907	1.7663		2.1509	3.0518	3.8897	4.5644	4.3360	2.6810	2.6774	1.7735
C8	1.5260	2.1794	2.1509	2.1664	1.5260	2.1794	2.1509		1.0952	2.4416	3.3671	2.6074	1.5231	2.3965	2.1664
H9	2.1519	2.4899	3.0518	2.5167	2.1519	2.4900	3.0518	1.0952		2.4868	3.4922	2.2083	2.1533	3.2647	2.5167
N10	3.4792	3.4532	3.8896	4.3859	3.4794	3.4534	3.8897	2.4416	2.4868		1.0057	1.0027	1.3588	2.2564	4.3860
H11	4.3057	4.2048	4.5643	5.2788	4.3058	4.2050	4.5644	3.3671	3.4922	1.0057		1.7328	2.0401	2.4946	5.2789
H12	3.6910	3.5897	4.3361	4.4395	3.6909	3.5896	4.3360	2.6074	2.2083	1.0027	1.7328		2.0747	3.1598	4.4394
C13	2.4795	2.7601	2.6810	3.4396	2.4795	2.7600	2.6810	1.5231	2.1533	1.3588	2.0401	2.0747		1.2140	3.4396
O14	2.9559	3.2997	2.6772	3.9594	2.9561	3.3000	2.6774	2.3965	3.2647	2.2564	2.4946	3.1598	1.2140		3.9595
H15	2.7457	3.7474	3.1081	2.5217	1.0915	1.7689	1.7735	2.1664	2.5167	4.3860	5.2789	4.4394	3.4396	3.9595

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C8	C5	111.118	C1	C8	H9	109.254
C1	C8	C13	108.813	H2	C1	H3	108.072
H2	C1	H4	108.247	H2	C1	C8	111.656
H3	C1	H4	108.722	H3	C1	C8	109.443
H4	C1	C8	110.618	C5	C8	H9	109.255
C5	C8	C13	108.812	H6	C5	H7	108.072
H6	C5	C8	111.656	H6	C5	H15	108.247
H7	C5	C8	109.443	H7	C5	H15	108.722
C8	C5	H15	110.618	C8	C13	N10	115.707
C8	C13	O14	121.814	H9	C8	C13	109.569
N10	C13	O14	122.478	H11	N10	H12	119.265
H11	N10	C13	118.509	H12	N10	C13	122.226

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

using model chemistry: B1B95/6-311G**

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	-0.306
2	H	0.122
3	H	0.147
4	H	0.121
5	C	-0.306
6	H	0.122
7	H	0.147
8	C	-0.312
9	H	0.125
10	N	-0.469
11	H	0.239
12	H	0.232
13	C	0.392
14	O	-0.375
15	H	0.121

	x	y	z	Total
	-0.361	-0.002	-3.578	3.596
CHELPG
AIM
ESP

	x	y	z
x	9.065	0.000	0.369
y	0.000	7.239	0.000
z	0.369	0.000	8.095

<r²>	171.137
(<r²>)^1/2	13.082

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

using model chemistry: B1B95/6-311G**

States and conformations

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