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	hartrees
Energy at 0K	-287.702291
Energy at 298.15K
HF Energy	-287.702291
Nuclear repulsion energy	248.336539

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3772	3572	45.62
2	A	3635	3442	51.06
3	A	3171	3003	21.45
4	A	3168	3000	3.56
5	A	3156	2989	30.34
6	A	3154	2987	14.89
7	A	3080	2917	11.95
8	A	3078	2915	25.43
9	A	3073	2910	31.76
10	A	1855	1757	280.38
11	A	1649	1561	143.53
12	A	1546	1464	16.62
13	A	1529	1448	10.09
14	A	1521	1441	1.72
15	A	1513	1433	0.63
16	A	1448	1371	77.35
17	A	1434	1358	3.89
18	A	1417	1342	4.72
19	A	1349	1277	1.11
20	A	1299	1230	94.11
21	A	1213	1148	2.51
22	A	1149	1089	4.27
23	A	1147	1086	0.01
24	A	1072	1015	7.51
25	A	987	935	0.43
26	A	940	890	3.00
27	A	937	888	2.19
28	A	785	743	8.42
29	A	778	737	2.81
30	A	622	589	6.56
31	A	603	571	18.51
32	A	482	457	3.50
33	A	328	311	0.95
34	A	294	278	5.90
35	A	248	235	4.97
36	A	246	233	0.64
37	A	207	196	2.14
38	A	63	60	239.69
39	A	21i	20i	2.75

Atom	x (Å)	y (Å)	z (Å)
C1	-1.346	-1.260	-0.027
H2	-0.831	-2.166	-0.361
H3	-1.397	-1.279	1.066
H4	-2.364	-1.272	-0.429
C5	-1.346	1.260	-0.027
H6	-0.831	2.166	-0.361
H7	-1.397	1.279	1.066
C8	-0.608	0.000	-0.482
H9	-0.532	0.000	-1.577
N10	1.823	0.000	-0.747
H11	2.765	0.000	-0.381
H12	1.689	0.000	-1.745
C13	0.785	-0.000	0.139
O14	0.948	-0.000	1.344
H15	-2.364	1.273	-0.429

	C1	H2	H3	H4	C5	H6	H7	C8	H9	N10	H11	H12	C13	O14	H15
C1		1.0946	1.0936	1.0944	2.5200	3.4806	2.7646	1.5293	2.1572	3.4857	4.3141	3.7078	2.4813	2.9546	2.7589
H2	1.0946		1.7729	1.7755	3.4806	4.3320	3.7717	2.1808	2.5018	3.4475	4.1979	3.5991	2.7485	3.2812	3.7653
H3	1.0936	1.7729		1.7798	2.7646	3.7717	2.5583	2.1571	3.0608	3.9103	4.5878	4.3653	2.6938	2.6856	3.1111
H4	1.0944	1.7755	1.7798		2.7588	3.7653	3.1111	2.1688	2.5084	4.3877	5.2843	4.4466	3.4435	3.9662	2.5451
C5	2.5200	3.4806	2.7646	2.7588		1.0946	1.0936	1.5293	2.1572	3.4856	4.3140	3.7078	2.4813	2.9546	1.0944
H6	3.4806	4.3320	3.7717	3.7653	1.0946		1.7729	2.1808	2.5018	3.4474	4.1977	3.5990	2.7484	3.2811	1.7755
H7	2.7646	3.7717	2.5583	3.1111	1.0936	1.7729		2.1571	3.0608	3.9103	4.5878	4.3652	2.6938	2.6856	1.7798
C8	1.5293	2.1808	2.1571	2.1688	1.5293	2.1808	2.1571		1.0980	2.4460	3.3747	2.6212	1.5257	2.3995	2.1688
H9	2.1572	2.5018	3.0608	2.5084	2.1572	2.5018	3.0608	1.0980		2.4979	3.5077	2.2273	2.1638	3.2754	2.5084
N10	3.4857	3.4475	3.9103	4.3877	3.4856	3.4474	3.9103	2.4460	2.4979		1.0101	1.0073	1.3646	2.2669	4.3877
H11	4.3141	4.1979	4.5878	5.2843	4.3140	4.1977	4.5878	3.3747	3.5077	1.0101		1.7377	2.0467	2.5054	5.2842
H12	3.7078	3.5991	4.3653	4.4466	3.7078	3.5990	4.3652	2.6212	2.2273	1.0073	1.7377		2.0894	3.1769	4.4466
C13	2.4813	2.7485	2.6938	3.4435	2.4813	2.7484	2.6938	1.5257	2.1638	1.3646	2.0467	2.0894		1.2163	3.4435
O14	2.9546	3.2812	2.6856	3.9662	2.9546	3.2811	2.6856	2.3995	3.2754	2.2669	2.5054	3.1769	1.2163		3.9662
H15	2.7589	3.7653	3.1111	2.5451	1.0944	1.7755	1.7798	2.1688	2.5084	4.3877	5.2842	4.4466	3.4435	3.9662

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C8	C5	110.953	C1	C8	H9	109.286
C1	C8	C13	108.624	H2	C1	H3	108.231
H2	C1	H4	108.403	H2	C1	C8	111.349
H3	C1	H4	108.863	H3	C1	C8	109.527
H4	C1	C8	110.403	C5	C8	H9	109.286
C5	C8	C13	108.623	H6	C5	H7	108.231
H6	C5	C8	111.349	H6	C5	H15	108.403
H7	C5	C8	109.526	H7	C5	H15	108.863
C8	C5	H15	110.403	C8	C13	N10	115.508
C8	C13	O14	121.710	H9	C8	C13	110.057
N10	C13	O14	122.782	H11	N10	H12	118.934
H11	N10	C13	118.284	H12	N10	C13	122.782

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

using model chemistry: M06-2X/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
1	C	-0.477
2	H	0.162
3	H	0.189
4	H	0.159
5	C	-0.477
6	H	0.162
7	H	0.189
8	C	-0.210
9	H	0.135
10	N	-0.807
11	H	0.365
12	H	0.358
13	C	0.618
14	O	-0.527
15	H	0.159

	x	y	z	Total
	0.324	0.000	-3.550	3.565
CHELPG
AIM
ESP

	x	y	z
x	8.217	0.000	-0.312
y	0.000	6.354	0.000
z	-0.312	0.000	7.615

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: M06-2X/6-31G*

States and conformations

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