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	hartrees
Energy at 0K	-285.924511
Energy at 298.15K	-285.935611
Nuclear repulsion energy	248.271372

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3992	3604	51.44
2	A	3849	3475	55.69
3	A	3295	2975	36.62
4	A	3289	2969	2.94
5	A	3263	2946	56.54
6	A	3259	2943	22.94
7	A	3200	2890	20.00
8	A	3193	2883	47.60
9	A	3187	2878	31.79
10	A	1864	1683	349.68
11	A	1821	1644	91.02
12	A	1670	1507	19.43
13	A	1659	1498	12.22
14	A	1650	1490	2.69
15	A	1645	1485	1.80
16	A	1588	1434	36.92
17	A	1566	1414	5.37
18	A	1563	1411	52.27
19	A	1477	1334	0.17
20	A	1433	1294	155.95
21	A	1326	1197	6.72
22	A	1253	1131	17.95
23	A	1228	1109	0.42
24	A	1200	1084	7.85
25	A	1066	963	0.14
26	A	1048	946	6.09
27	A	989	893	1.67
28	A	867	783	113.76
29	A	826	746	1.15
30	A	691	623	227.92
31	A	675	609	10.50
32	A	566	511	101.15
33	A	522	471	4.75
34	A	356	321	0.79
35	A	315	284	9.44
36	A	263	238	2.23
37	A	260	235	4.71
38	A	234	211	0.63
39	A	19	17	9.89

Atom	x (Å)	y (Å)	z (Å)
C1	1.354	1.268	-0.021
H2	0.848	2.166	-0.358
H3	1.419	1.302	1.058
H4	2.358	1.275	-0.430
C5	1.355	-1.268	-0.024
H6	0.848	-2.165	-0.364
H7	1.419	-1.304	1.055
C8	0.609	0.001	-0.466
H9	0.536	0.002	-1.550
N10	-1.822	0.001	-0.749
H11	-2.748	0.001	-0.392
H12	-1.691	0.003	-1.730
C13	-0.788	-0.000	0.124
O14	-0.972	-0.002	1.339
H15	2.358	-1.273	-0.433

	C1	H2	H3	H4	C5	H6	H7	C8	H9	N10	H11	H12	C13	O14	H15
C1		1.0843	1.0818	1.0838	2.5359	3.4866	2.7889	1.5362	2.1472	3.4962	4.3096	3.7147	2.4940	2.9796	2.7633
H2	1.0843		1.7547	1.7549	3.4866	4.3301	3.7897	2.1807	2.4897	3.4589	4.1971	3.6066	2.7567	3.3005	3.7566
H3	1.0818	1.7547		1.7601	2.7889	3.7897	2.6057	2.1617	3.0450	3.9322	4.5999	4.3747	2.7273	2.7382	3.1204
H4	1.0838	1.7549	1.7601		2.7633	3.7566	3.1204	2.1640	2.4889	4.3811	5.2625	4.4391	3.4395	3.9816	2.5479
C5	2.5359	3.4866	2.7889	2.7633		1.0843	1.0818	1.5362	2.1472	3.4966	4.3100	3.7154	2.4940	2.9793	1.0838
H6	3.4866	4.3301	3.7897	3.7566	1.0843		1.7547	2.1807	2.4897	3.4595	4.1978	3.6077	2.7567	3.3000	1.7549
H7	2.7889	3.7897	2.6057	3.1204	1.0818	1.7547		2.1617	3.0450	3.9325	4.6003	4.3752	2.7273	2.7378	1.7601
C8	1.5362	2.1807	2.1617	2.1640	1.5362	2.1807	2.1617		1.0860	2.4474	3.3579	2.6250	1.5170	2.4003	2.1640
H9	2.1472	2.4897	3.0450	2.4889	2.1472	2.4897	3.0450	1.0860		2.4895	3.4815	2.2343	2.1342	3.2590	2.4889
N10	3.4962	3.4589	3.9322	4.3811	3.4966	3.4595	3.9325	2.4474	2.4895		0.9927	0.9894	1.3537	2.2549	4.3814
H11	4.3096	4.1971	4.5999	5.2625	4.3100	4.1978	4.6003	3.3579	3.4815	0.9927		1.7049	2.0268	2.4800	5.2629
H12	3.7147	3.6066	4.3747	4.4391	3.7154	3.6077	4.3752	2.6250	2.2343	0.9894	1.7049		2.0630	3.1527	4.4396
C13	2.4940	2.7567	2.7273	3.4395	2.4940	2.7567	2.7273	1.5170	2.1342	1.3537	2.0268	2.0630		1.2288	3.4395
O14	2.9796	3.3005	2.7382	3.9816	2.9793	3.3000	2.7378	2.4003	3.2590	2.2549	2.4800	3.1527	1.2288		3.9813
H15	2.7633	3.7566	3.1204	2.5479	1.0838	1.7549	1.7601	2.1640	2.4889	4.3814	5.2629	4.4396	3.4395	3.9813

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C8	C5	111.249	C1	C8	H9	108.725
C1	C8	C13	109.536	H2	C1	H3	108.200
H2	C1	H4	108.080	H2	C1	C8	111.478
H3	C1	H4	108.728	H3	C1	C8	110.105
H4	C1	C8	110.171	C5	C8	H9	108.724
C5	C8	C13	109.538	H6	C5	H7	108.199
H6	C5	C8	111.477	H6	C5	H15	108.080
H7	C5	C8	110.104	H7	C5	H15	108.729
C8	C5	H15	110.172	C8	C13	N10	116.871
C8	C13	O14	121.547	H9	C8	C13	109.030
N10	C13	O14	121.582	H11	N10	H12	118.668
H11	N10	C13	118.691	H12	N10	C13	122.641

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

using model chemistry: HF/6-31G

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	CHELPG
1	C	-0.439	-0.200
2	H	0.158	0.034
3	H	0.195	0.067
4	H	0.157	0.065
5	C	-0.439	-0.201
6	H	0.158	0.034
7	H	0.195	0.067
8	C	-0.278	0.044
9	H	0.159	-0.003
10	N	-0.936	-1.228
11	H	0.387	0.497
12	H	0.376	0.454
13	C	0.778	1.060
14	O	-0.630	-0.755
15	H	0.157	0.065

	x	y	z	Total
	0.187	0.007	-4.249	4.253
CHELPG	0.198	0.007	-4.249	4.253
AIM
ESP

	x	y	z
x	7.358	-0.000	0.196
y	-0.000	5.863	-0.003
z	0.196	-0.003	7.282

<r²>	172.870
(<r²>)^1/2	13.148

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

using model chemistry: HF/6-31G

States and conformations

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