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	hartrees
Energy at 0K	-287.694956
Energy at 298.15K	-287.705076
HF Energy	-287.694956
Nuclear repulsion energy	246.077175

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3682	3619	27.47
2	A	3535	3474	19.90
3	A	3086	3033	37.26
4	A	3083	3030	3.38
5	A	3065	3013	49.13
6	A	3063	3011	20.53
7	A	2992	2940	23.75
8	A	2988	2937	47.31
9	A	2970	2919	43.45
10	A	1718	1688	298.38
11	A	1591	1563	97.26
12	A	1493	1467	14.16
13	A	1478	1453	10.79
14	A	1469	1444	2.03
15	A	1463	1438	1.38
16	A	1394	1370	29.36
17	A	1370	1347	32.96
18	A	1369	1345	3.71
19	A	1304	1281	2.26
20	A	1250	1228	119.05
21	A	1172	1152	4.82
22	A	1108	1089	5.70
23	A	1095	1077	0.89
24	A	1032	1014	7.20
25	A	956	940	0.10
26	A	919	903	1.34
27	A	898	882	2.91
28	A	747	734	1.78
29	A	737	724	3.31
30	A	600	590	4.29
31	A	584	574	11.55
32	A	470	462	2.57
33	A	324	318	1.09
34	A	285	281	4.27
35	A	238	234	5.01
36	A	237	233	2.80
37	A	212	208	5.96
38	A	180	176	184.71
39	A	12	11	7.78

Atom	x (Å)	y (Å)	z (Å)
C1	-1.365	-1.273	-0.021
H2	-0.848	-2.181	-0.361
H3	-1.428	-1.304	1.074
H4	-2.383	-1.280	-0.433
C5	-1.365	1.273	-0.021
H6	-0.848	2.181	-0.361
H7	-1.428	1.304	1.074
C8	-0.620	-0.000	-0.466
H9	-0.546	-0.000	-1.567
N10	1.826	-0.000	-0.770
H11	2.777	0.000	-0.422
H12	1.671	-0.000	-1.768
C13	0.794	0.000	0.136
O14	0.995	0.000	1.352
H15	-2.383	1.280	-0.433

	C1	H2	H3	H4	C5	H6	H7	C8	H9	N10	H11	H12	C13	O14	H15
C1		1.0987	1.0973	1.0987	2.5453	3.5084	2.8005	1.5405	2.1631	3.5159	4.3512	3.7267	2.5107	3.0128	2.7788
H2	1.0987		1.7786	1.7816	3.5084	4.3617	3.8132	2.1953	2.5102	3.4749	4.2309	3.6171	2.7747	3.3302	3.7864
H3	1.0973	1.7786		1.7845	2.8005	3.8132	2.6084	2.1742	3.0744	3.9610	4.6496	4.4025	2.7417	2.7663	3.1401
H4	1.0987	1.7816	1.7845		2.7788	3.7864	3.1401	2.1793	2.5098	4.4125	5.3165	4.4563	3.4721	4.0301	2.5594
C5	2.5453	3.5084	2.8005	2.7788		1.0987	1.0973	1.5405	2.1631	3.5160	4.3512	3.7266	2.5107	3.0127	1.0987
H6	3.5084	4.3617	3.8132	3.7864	1.0987		1.7786	2.1953	2.5102	3.4750	4.2309	3.6169	2.7747	3.3302	1.7815
H7	2.8005	3.8132	2.6084	3.1401	1.0973	1.7786		2.1742	3.0744	3.9610	4.6496	4.4024	2.7417	2.7662	1.7845
C8	1.5405	2.1953	2.1742	2.1793	1.5405	2.1953	2.1742		1.1027	2.4644	3.3967	2.6346	1.5364	2.4323	2.1793
H9	2.1631	2.5102	3.0744	2.5098	2.1631	2.5102	3.0744	1.1027		2.5021	3.5143	2.2261	2.1664	3.3008	2.5098
N10	3.5159	3.4749	3.9610	4.4125	3.5160	3.4750	3.9610	2.4644	2.5021		1.0124	1.0099	1.3734	2.2787	4.4126
H11	4.3512	4.2309	4.6496	5.3165	4.3512	4.2309	4.6496	3.3967	3.5143	1.0124		1.7418	2.0600	2.5140	5.3165
H12	3.7267	3.6171	4.4025	4.4563	3.7266	3.6169	4.4024	2.6346	2.2261	1.0099	1.7418		2.0963	3.1923	4.4563
C13	2.5107	2.7747	2.7417	3.4721	2.5107	2.7747	2.7417	1.5364	2.1664	1.3734	2.0600	2.0963		1.2328	3.4721
O14	3.0128	3.3302	2.7663	4.0301	3.0127	3.3302	2.7662	2.4323	3.3008	2.2787	2.5140	3.1923	1.2328		4.0301
H15	2.7788	3.7864	3.1401	2.5594	1.0987	1.7815	1.7845	2.1793	2.5098	4.4126	5.3165	4.4563	3.4721	4.0301

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C8	C5	111.535	C1	C8	H9	108.567
C1	C8	C13	109.523	H2	C1	H3	108.097
H2	C1	H4	108.172	H2	C1	C8	111.609
H3	C1	H4	108.633	H3	C1	C8	109.823
H4	C1	C8	110.422	C5	C8	H9	108.568
C5	C8	C13	109.520	H6	C5	H7	108.097
H6	C5	C8	111.609	H6	C5	H15	108.172
H7	C5	C8	109.824	H7	C5	H15	108.634
C8	C5	H15	110.420	C8	C13	N10	115.934
C8	C13	O14	122.473	H9	C8	C13	109.084
N10	C13	O14	121.593	H11	N10	H12	118.862
H11	N10	C13	118.722	H12	N10	C13	122.415

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

using model chemistry: B97D3/6-31+G**

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	-0.596
2	H	0.153
3	H	0.182
4	H	0.150
5	C	-0.596
6	H	0.153
7	H	0.182
8	C	0.201
9	H	0.112
10	N	-0.523
11	H	0.318
12	H	0.294
13	C	0.300
14	O	-0.482
15	H	0.150

	x	y	z	Total
	0.087	-0.000	-3.723	3.724
CHELPG
AIM
ESP

	x	y	z
x	10.211	0.000	-0.371
y	0.000	8.253	0.000
z	-0.371	0.000	9.156

<r²>	175.285
(<r²>)^1/2	13.240

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

using model chemistry: B97D3/6-31+G**

States and conformations

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