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	hartrees
Energy at 0K	-52.474525
Energy at 298.15K	-52.485550
Nuclear repulsion energy	137.970593

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3973	3625	35.97
2	A	3809	3476	43.80
3	A	3267	2981	62.89
4	A	3259	2974	5.15
5	A	3234	2951	83.07
6	A	3229	2946	30.51
7	A	3172	2895	42.42
8	A	3148	2873	24.67
9	A	3146	2871	59.73
10	A	1818	1659	328.84
11	A	1789	1633	128.36
12	A	1650	1505	16.60
13	A	1639	1496	12.70
14	A	1631	1489	2.95
15	A	1625	1483	1.35
16	A	1563	1426	30.02
17	A	1549	1414	45.44
18	A	1543	1408	5.06
19	A	1461	1333	0.33
20	A	1401	1278	179.26
21	A	1309	1195	10.64
22	A	1233	1125	22.00
23	A	1223	1116	0.00
24	A	1186	1082	9.06
25	A	1059	966	0.42
26	A	1030	939	2.99
27	A	984	898	0.33
28	A	833	760	56.31
29	A	813	742	0.21
30	A	654	597	11.44
31	A	651	594	157.35
32	A	538	491	170.58
33	A	505	461	4.79
34	A	345	315	0.87
35	A	303	277	9.31
36	A	254	232	2.55
37	A	253	231	4.84
38	A	224	204	0.48
39	A	30	27	10.31

Atom	x (Å)	y (Å)	z (Å)
C1	-1.353	-1.277	-0.035
H2	-0.832	-2.175	-0.357
H3	-1.450	-1.312	1.044
H4	-2.346	-1.287	-0.475
C5	-1.352	1.278	-0.031
H6	-0.831	2.176	-0.351
H7	-1.449	1.309	1.048
C8	-0.597	0.001	-0.465
H9	-0.500	0.003	-1.548
N10	1.864	0.002	-0.718
H11	2.785	0.001	-0.343
H12	1.744	0.003	-1.702
C13	0.804	-0.000	0.150
O14	0.982	-0.003	1.378
H15	-2.346	1.289	-0.471

	C1	H2	H3	H4	C5	H6	H7	C8	H9	N10	H11	H12	C13	O14	H15
C1		1.0870	1.0840	1.0865	2.5546	3.5067	2.8056	1.5457	2.1573	3.5288	4.3417	3.7427	2.5129	3.0120	2.7858
H2	1.0870		1.7582	1.7594	3.5067	4.3510	3.8073	2.1909	2.5038	3.4837	4.2208	3.6312	2.7676	3.3194	3.7820
H3	1.0840	1.7582		1.7641	2.8053	3.8072	2.6210	2.1743	3.0577	3.9768	4.6455	4.4125	2.7565	2.7819	3.1402
H4	1.0865	1.7594	1.7641		2.7860	3.7821	3.1411	2.1723	2.4942	4.4100	5.2921	4.4607	3.4593	4.0200	2.5761
C5	2.5546	3.5067	2.8053	2.7860		1.0870	1.0840	1.5457	2.1573	3.5281	4.3412	3.7421	2.5128	3.0124	1.0865
H6	3.5067	4.3510	3.8072	3.7821	1.0870		1.7582	2.1909	2.5035	3.4827	4.2202	3.6302	2.7678	3.3206	1.7594
H7	2.8056	3.8073	2.6210	3.1411	1.0840	1.7582		2.1743	3.0577	3.9759	4.6447	4.4118	2.7561	2.7821	1.7641
C8	1.5457	2.1909	2.1743	2.1723	1.5457	2.1909	2.1743		1.0878	2.4742	3.3841	2.6476	1.5293	2.4267	2.1723
H9	2.1573	2.5038	3.0577	2.4942	2.1573	2.5035	3.0577	1.0878		2.5063	3.4999	2.2496	2.1410	3.2805	2.4944
N10	3.5288	3.4837	3.9768	4.4100	3.5281	3.4827	3.9759	2.4742	2.5063		0.9944	0.9912	1.3706	2.2744	4.4096
H11	4.3417	4.2208	4.6455	5.2921	4.3412	4.2202	4.6447	3.3841	3.4999	0.9944		1.7124	2.0417	2.4923	5.2918
H12	3.7427	3.6312	4.4125	4.4607	3.7421	3.6302	4.4118	2.6476	2.2496	0.9912	1.7124		2.0768	3.1730	4.4605
C13	2.5129	2.7676	2.7565	3.4593	2.5128	2.7678	2.7561	1.5293	2.1410	1.3706	2.0417	2.0768		1.2413	3.4593
O14	3.0120	3.3194	2.7819	4.0200	3.0124	3.3206	2.7821	2.4267	3.2805	2.2744	2.4923	3.1730	1.2413		4.0202
H15	2.7858	3.7820	3.1402	2.5761	1.0865	1.7594	1.7641	2.1723	2.4944	4.4096	5.2918	4.4605	3.4593	4.0202

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C8	C5	111.450	C1	C8	H9	108.759
C1	C8	C13	109.606	H2	C1	H3	108.159
H2	C1	H4	108.094	H2	C1	C8	111.456
H3	C1	H4	108.740	H3	C1	C8	110.307
H4	C1	C8	110.005	C5	C8	H9	108.758
C5	C8	C13	109.602	H6	C5	H7	108.162
H6	C5	C8	111.457	H6	C5	H15	108.094
H7	C5	C8	110.308	H7	C5	H15	108.735
C8	C5	H15	110.006	C8	C13	N10	117.017
C8	C13	O14	121.956	H9	C8	C13	108.612
N10	C13	O14	121.028	H11	N10	H12	119.178
H11	N10	C13	118.513	H12	N10	C13	122.309

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

using model chemistry: HF/CEP-121G

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	-0.505
2	H	0.150
3	H	0.186
4	H	0.151
5	C	-0.505
6	H	0.150
7	H	0.186
8	C	-0.114
9	H	0.116
10	N	-0.670
11	H	0.358
12	H	0.349
13	C	0.368
14	O	-0.370
15	H	0.151

	x	y	z	Total
	-0.230	0.008	-4.466	4.472
CHELPG
AIM
ESP

	x	y	z
x	7.957	0.000	-0.197
y	0.000	6.693	-0.003
z	-0.197	-0.003	7.792

<r²>	145.531
(<r²>)^1/2	12.064

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

using model chemistry: HF/CEP-121G

States and conformations

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