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	hartrees
Energy at 0K	-287.729881
Energy at 298.15K	-287.740227
Nuclear repulsion energy	248.161038

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3776	3612	42.27
2	A	3629	3471	39.72
3	A	3155	3018	28.10
4	A	3153	3017	3.28
5	A	3141	3005	37.95
6	A	3140	3004	15.82
7	A	3061	2929	17.45
8	A	3059	2927	36.26
9	A	3048	2916	36.83
10	A	1797	1719	321.87
11	A	1624	1554	133.60
12	A	1514	1449	20.76
13	A	1499	1434	11.85
14	A	1490	1426	2.55
15	A	1484	1419	1.47
16	A	1423	1361	78.44
17	A	1408	1347	4.58
18	A	1392	1331	6.24
19	A	1327	1269	0.99
20	A	1282	1226	93.88
21	A	1194	1142	2.81
22	A	1133	1083	4.62
23	A	1131	1082	0.27
24	A	1059	1013	7.89
25	A	978	936	0.28
26	A	929	889	2.79
27	A	929	889	1.98
28	A	773	739	3.54
29	A	765	732	2.78
30	A	613	586	5.90
31	A	597	571	12.99
32	A	473	452	2.90
33	A	321	307	0.88
34	A	283	271	4.35
35	A	249	238	91.10
36	A	245	234	5.79
37	A	237	227	94.37
38	A	212	203	18.55
39	A	34	33	7.68

Atom	x (Å)	y (Å)	z (Å)
C1	1.351	1.261	-0.024
H2	0.848	2.169	-0.367
H3	1.399	1.292	1.067
H4	2.370	1.265	-0.419
C5	1.351	-1.261	-0.024
H6	0.848	-2.169	-0.367
H7	1.399	-1.292	1.067
C8	0.612	-0.000	-0.472
H9	0.533	-0.000	-1.566
N10	-1.820	-0.000	-0.753
H11	-2.761	-0.000	-0.394
H12	-1.675	-0.000	-1.747
C13	-0.786	-0.000	0.133
O14	-0.969	0.000	1.341
H15	2.370	-1.265	-0.419

	C1	H2	H3	H4	C5	H6	H7	C8	H9	N10	H11	H12	C13	O14	H15
C1		1.0931	1.0924	1.0931	2.5215	3.4830	2.7762	1.5284	2.1531	3.4886	4.3167	3.7032	2.4861	2.9722	2.7518
H2	1.0931		1.7692	1.7709	3.4829	4.3372	3.7861	2.1839	2.4979	3.4592	4.2105	3.6017	2.7610	3.3049	3.7558
H3	1.0924	1.7692		1.7751	2.7762	3.7861	2.5833	2.1580	3.0580	3.9167	4.5950	4.3634	2.7052	2.7116	3.1120
H4	1.0931	1.7709	1.7751		2.7518	3.7558	3.1120	2.1662	2.5074	4.3887	5.2845	4.4411	3.4445	3.9807	2.5292
C5	2.5215	3.4829	2.7762	2.7518		1.0931	1.0924	1.5284	2.1531	3.4887	4.3167	3.7031	2.4861	2.9722	1.0931
H6	3.4830	4.3372	3.7861	3.7558	1.0931		1.7692	2.1839	2.4979	3.4594	4.2106	3.6016	2.7610	3.3050	1.7709
H7	2.7762	3.7861	2.5833	3.1120	1.0924	1.7692		2.1580	3.0580	3.9168	4.5951	4.3634	2.7052	2.7116	1.7751
C8	1.5284	2.1839	2.1580	2.1662	1.5284	2.1839	2.1580		1.0970	2.4475	3.3738	2.6183	1.5232	2.4055	2.1662
H9	2.1531	2.4979	3.0580	2.5074	2.1531	2.4979	3.0580	1.0970		2.4895	3.4966	2.2158	2.1512	3.2726	2.5074
N10	3.4886	3.4592	3.9167	4.3887	3.4887	3.4594	3.9168	2.4475	2.4895		1.0075	1.0048	1.3608	2.2602	4.3887
H11	4.3167	4.2105	4.5950	5.2845	4.3167	4.2106	4.5951	3.3738	3.4966	1.0075		1.7346	2.0441	2.4950	5.2846
H12	3.7032	3.6017	4.3634	4.4411	3.7031	3.6016	4.3634	2.6183	2.2158	1.0048	1.7346		2.0793	3.1681	4.4410
C13	2.4861	2.7610	2.7052	3.4445	2.4861	2.7610	2.7052	1.5232	2.1512	1.3608	2.0441	2.0793		1.2223	3.4445
O14	2.9722	3.3049	2.7116	3.9807	2.9722	3.3050	2.7116	2.4055	3.2726	2.2602	2.4950	3.1681	1.2223		3.9807
H15	2.7518	3.7558	3.1120	2.5292	1.0931	1.7709	1.7751	2.1662	2.5074	4.3887	5.2846	4.4410	3.4445	3.9807

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C8	C5	111.148	C1	C8	H9	109.082
C1	C8	C13	109.107	H2	C1	H3	108.094
H2	C1	H4	108.200	H2	C1	C8	111.760
H3	C1	H4	108.624	H3	C1	C8	109.731
H4	C1	C8	110.345	C5	C8	H9	109.082
C5	C8	C13	109.107	H6	C5	H7	108.094
H6	C5	C8	111.760	H6	C5	H15	108.200
H7	C5	C8	109.731	H7	C5	H15	108.624
C8	C5	H15	110.345	C8	C13	N10	116.012
C8	C13	O14	121.986	H9	C8	C13	109.290
N10	C13	O14	122.003	H11	N10	H12	119.095
H11	N10	C13	118.576	H12	N10	C13	122.329

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

using model chemistry: B1B95/6-31+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	-0.579
2	H	0.160
3	H	0.190
4	H	0.156
5	C	-0.579
6	H	0.160
7	H	0.190
8	C	0.093
9	H	0.123
10	N	-0.554
11	H	0.325
12	H	0.300
13	C	0.369
14	O	-0.511
15	H	0.156

	x	y	z	Total
	-0.125	-0.001	-3.786	3.788
CHELPG
AIM
ESP

	x	y	z
x	9.593	0.000	0.329
y	0.000	7.873	0.000
z	0.329	0.000	8.755

<r²>	172.397
(<r²>)^1/2	13.130

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

using model chemistry: B1B95/6-31+G**

States and conformations

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