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	hartrees
Energy at 0K	-284.754536
Energy at 298.15K	-284.765232
Nuclear repulsion energy	249.037980

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3578	3514	26.80
2	A	3443	3381	23.03
3	A	3083	3027	9.71
4	A	3071	3016	12.34
5	A	3069	3013	10.25
6	A	3063	3008	15.15
7	A	2988	2934	18.16
8	A	2987	2933	13.97
9	A	2978	2925	14.44
10	A	1755	1724	155.95
11	A	1598	1569	117.01
12	A	1514	1487	27.29
13	A	1497	1470	11.37
14	A	1484	1458	10.58
15	A	1472	1445	3.75
16	A	1398	1373	70.30
17	A	1381	1356	22.76
18	A	1365	1340	55.35
19	A	1309	1286	17.21
20	A	1274	1251	23.43
21	A	1190	1168	2.08
22	A	1139	1118	0.35
23	A	1106	1086	10.02
24	A	1062	1043	12.05
25	A	985	968	0.49
26	A	944	927	7.44
27	A	920	903	6.62
28	A	786	772	36.90
29	A	753	740	10.23
30	A	614	602	55.81
31	A	605	594	49.52
32	A	515	506	156.52
33	A	475	467	6.65
34	A	349	343	1.77
35	A	312	307	9.47
36	A	253	249	5.18
37	A	238	234	0.05
38	A	195	191	1.57
39	A	51	50	6.39

Atom	x (Å)	y (Å)	z (Å)
C1	-1.568	-0.928	-0.398
H2	-1.425	-1.587	-1.272
H3	-1.312	-1.513	0.505
H4	-2.620	-0.601	-0.363
C5	-1.044	1.310	0.590
H6	-0.322	2.146	0.631
H7	-1.084	0.839	1.590
C8	-0.619	0.253	-0.432
H9	-0.566	0.708	-1.441
N10	1.771	0.581	-0.411
H11	2.726	0.363	-0.114
H12	1.602	1.394	-1.006
C13	0.762	-0.233	-0.011
O14	0.933	-1.243	0.688
H15	-2.045	1.708	0.348

	C1	H2	H3	H4	C5	H6	H7	C8	H9	N10	H11	H12	C13	O14	H15
C1		1.1038	1.1060	1.1030	2.5024	3.4729	2.7032	1.5156	2.1833	3.6638	4.4923	3.9755	2.4613	2.7441	2.7807
H2	1.1038		1.7820	1.7971	3.4655	4.3332	3.7671	2.1780	2.4565	3.9569	4.7300	4.2564	2.8643	3.0851	3.7237
H3	1.1060	1.7820		1.8158	2.8372	3.7925	2.5998	2.1159	3.0453	3.8373	4.4948	4.3840	2.4907	2.2678	3.3070
H4	1.1030	1.7971	1.8158		2.6543	3.7166	2.8710	2.1772	2.6637	4.5477	5.4378	4.7134	3.4198	3.7602	2.4829
C5	2.5024	3.4655	2.8372	2.6543		1.1049	1.1057	1.5306	2.1718	3.0750	3.9498	3.0910	2.4498	3.2302	1.1042
H6	3.4729	4.3332	3.7925	3.7166	1.1049		1.7913	2.1910	2.5339	2.8135	3.6088	2.6360	2.6918	3.6143	1.7999
H7	2.7032	3.7671	2.5998	2.8710	1.1057	1.7913		2.1555	3.0773	3.4957	4.2006	3.7764	2.6680	3.0355	1.7947
C8	1.5156	2.1780	2.1159	2.1772	1.5306	2.1910	2.1555		1.1078	2.4121	3.3613	2.5614	1.5224	2.4288	2.1811
H9	2.1833	2.4565	3.0453	2.6637	2.1718	2.5339	3.0773	1.1078		2.5569	3.5655	2.3145	2.1655	3.2530	2.5270
N10	3.6638	3.9569	3.8373	4.5477	3.0750	2.8135	3.4957	2.4121	2.5569		1.0232	1.0218	1.3566	2.2883	4.0503
H11	4.4923	4.7300	4.4948	5.4378	3.9498	3.6088	4.2006	3.3613	3.5655	1.0232		1.7668	2.0552	2.5374	4.9778
H12	3.9755	4.2564	4.3840	4.7134	3.0910	2.6360	3.7764	2.5614	2.3145	1.0218	1.7668		2.0835	3.2047	3.9024
C13	2.4613	2.8643	2.4907	3.4198	2.4498	2.6918	2.6680	1.5224	2.1655	1.3566	2.0552	2.0835		1.2406	3.4308
O14	2.7441	3.0851	2.2678	3.7602	3.2302	3.6143	3.0355	2.4288	3.2530	2.2883	2.5374	3.2047	1.2406		4.2058
H15	2.7807	3.7237	3.3070	2.4829	1.1042	1.7999	1.7947	2.1811	2.5270	4.0503	4.9778	3.9024	3.4308	4.2058

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C8	C5	110.465	C1	C8	H9	111.710
C1	C8	C13	108.221	H2	C1	H3	107.494
H2	C1	H4	109.048	H2	C1	C8	111.533
H3	C1	H4	110.573	H3	C1	C8	106.580
H4	C1	C8	111.522	C5	C8	H9	109.761
C5	C8	C13	106.719	H6	C5	H7	108.252
H6	C5	C8	111.453	H6	C5	H15	109.130
H7	C5	C8	108.621	H7	C5	H15	108.602
C8	C5	H15	110.706	C8	C13	N10	113.696
C8	C13	O14	122.729	H9	C8	C13	109.827
N10	C13	O14	123.481	H11	N10	H12	119.525
H11	N10	C13	118.780	H12	N10	C13	121.690

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

using model chemistry: LSDA/3-21G*

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	0.215
3	H	0.236
4	H	0.198
5	C	-0.590
6	H	0.201
7	H	0.230
8	C	-0.387
9	H	0.203
10	N	-0.736
11	H	0.327
12	H	0.322
13	C	0.606
14	O	-0.448
15	H	0.218

	x	y	z	Total
	0.807	3.055	-1.721	3.598
CHELPG
AIM
ESP

	x	y	z
x	8.005	0.412	-0.038
y	0.412	7.268	-0.688
z	-0.038	-0.688	5.876

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: LSDA/3-21G*

States and conformations

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