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	hartrees
Energy at 0K	-287.835237
Energy at 298.15K	-287.845286
Nuclear repulsion energy	245.638683

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3613	3602	21.20
2	A	3477	3467	16.63
3	A	3035	3026	35.16
4	A	3031	3022	2.30
5	A	3016	3007	43.94
6	A	3013	3004	19.16
7	A	2963	2954	17.67
8	A	2959	2951	37.30
9	A	2935	2926	34.37
10	A	1685	1680	243.45
11	A	1567	1562	82.45
12	A	1480	1476	10.46
13	A	1467	1463	10.13
14	A	1460	1456	1.27
15	A	1454	1450	0.91
16	A	1385	1381	20.22
17	A	1362	1357	2.57
18	A	1344	1340	30.82
19	A	1297	1294	2.35
20	A	1235	1231	114.21
21	A	1162	1158	5.32
22	A	1098	1095	5.96
23	A	1077	1074	0.94
24	A	1021	1018	6.55
25	A	943	941	0.00
26	A	915	912	1.22
27	A	874	872	3.00
28	A	744	742	2.10
29	A	719	717	4.67
30	A	596	594	4.48
31	A	580	578	9.06
32	A	462	460	2.78
33	A	318	317	1.04
34	A	280	279	5.05
35	A	235	234	0.34
36	A	232	231	4.06
37	A	211	210	0.36
38	A	135	135	158.24
39	A	29	29	5.40

Atom	x (Å)	y (Å)	z (Å)
C1	1.369	1.278	-0.021
H2	0.865	2.184	-0.379
H3	1.417	1.325	1.073
H4	2.393	1.279	-0.417
C5	1.370	-1.278	-0.021
H6	0.865	-2.184	-0.379
H7	1.417	-1.325	1.072
C8	0.622	0.000	-0.465
H9	0.548	0.000	-1.563
N10	-1.831	0.000	-0.770
H11	-2.783	0.000	-0.422
H12	-1.676	0.000	-1.769
C13	-0.798	-0.000	0.138
O14	-0.999	-0.000	1.351
H15	2.393	-1.279	-0.417

	C1	H2	H3	H4	C5	H6	H7	C8	H9	N10	H11	H12	C13	O14	H15
C1		1.0972	1.0957	1.0971	2.5551	3.5160	2.8231	1.5454	2.1642	3.5268	4.3629	3.7365	2.5214	3.0211	2.7820
H2	1.0972		1.7748	1.7762	3.5160	4.3672	3.8367	2.1987	2.5039	3.4913	4.2514	3.6268	2.7931	3.3521	3.7850
H3	1.0957	1.7748		1.7810	2.8231	3.8367	2.6494	2.1797	3.0749	3.9626	4.6504	4.4039	2.7452	2.7696	3.1542
H4	1.0971	1.7762	1.7810		2.7820	3.7850	3.1542	2.1850	2.5205	4.4276	5.3315	4.4742	3.4825	4.0333	2.5579
C5	2.5551	3.5160	2.8231	2.7820		1.0972	1.0957	1.5454	2.1642	3.5268	4.3630	3.7365	2.5214	3.0211	1.0971
H6	3.5160	4.3672	3.8367	3.7850	1.0972		1.7748	2.1987	2.5039	3.4913	4.2515	3.6269	2.7931	3.3521	1.7762
H7	2.8231	3.8367	2.6494	3.1542	1.0957	1.7748		2.1797	3.0749	3.9626	4.6504	4.4040	2.7452	2.7696	1.7810
C8	1.5454	2.1987	2.1797	2.1850	1.5454	2.1987	2.1797		1.1003	2.4721	3.4051	2.6420	1.5431	2.4346	2.1850
H9	2.1642	2.5039	3.0749	2.5205	2.1642	2.5039	3.0749	1.1003		2.5078	3.5211	2.2334	2.1693	3.2995	2.5205
N10	3.5268	3.4913	3.9626	4.4276	3.5268	3.4913	3.9626	2.4721	2.5078		1.0136	1.0107	1.3754	2.2790	4.4277
H11	4.3629	4.2514	4.6504	5.3315	4.3630	4.2515	4.6504	3.4051	3.5211	1.0136		1.7440	2.0619	2.5150	5.3315
H12	3.7365	3.6268	4.4039	4.4742	3.7365	3.6269	4.4040	2.6420	2.2334	1.0107	1.7440		2.0992	3.1930	4.4743
C13	2.5214	2.7931	2.7452	3.4825	2.5214	2.7931	2.7452	1.5431	2.1693	1.3754	2.0619	2.0992		1.2299	3.4825
O14	3.0211	3.3521	2.7696	4.0333	3.0211	3.3521	2.7696	2.4346	3.2995	2.2790	2.5150	3.1930	1.2299		4.0333
H15	2.7820	3.7850	3.1542	2.5579	1.0971	1.7762	1.7810	2.1850	2.5205	4.4277	5.3315	4.4743	3.4825	4.0333

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C8	C5	111.525	C1	C8	H9	108.606
C1	C8	C13	109.455	H2	C1	H3	108.062
H2	C1	H4	108.092	H2	C1	C8	111.491
H3	C1	H4	108.621	H3	C1	C8	110.073
H4	C1	C8	110.413	C5	C8	H9	108.605
C5	C8	C13	109.455	H6	C5	H7	108.062
H6	C5	C8	111.492	H6	C5	H15	108.092
H7	C5	C8	110.073	H7	C5	H15	108.620
C8	C5	H15	110.413	C8	C13	N10	115.666
C8	C13	O14	122.398	H9	C8	C13	109.156
N10	C13	O14	121.937	H11	N10	H12	118.974
H11	N10	C13	118.542	H12	N10	C13	122.484

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

using model chemistry: BLYP/cc-pVTZ

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	-0.262
2	H	0.081
3	H	0.102
4	H	0.082
5	C	-0.262
6	H	0.081
7	H	0.102
8	C	-0.048
9	H	0.064
10	N	-0.205
11	H	0.146
12	H	0.146
13	C	0.220
14	O	-0.329
15	H	0.082

	x	y	z	Total
	-0.267	0.000	-3.543	3.553
CHELPG
AIM
ESP

<r²>	176.098
(<r²>)^1/2	13.270

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

using model chemistry: BLYP/cc-pVTZ

States and conformations

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