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	hartrees
Energy at 0K	-287.780836
Energy at 298.15K	-287.791168
HF Energy	-287.780836
Nuclear repulsion energy	247.585964

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3790	3610	45.73
2	A	3644	3471	43.31
3	A	3163	3013	30.98
4	A	3159	3010	2.69
5	A	3147	2998	42.19
6	A	3145	2996	16.47
7	A	3068	2922	17.30
8	A	3065	2920	39.18
9	A	3060	2915	35.90
10	A	1812	1726	337.44
11	A	1636	1559	140.01
12	A	1522	1450	22.29
13	A	1512	1440	12.12
14	A	1500	1429	4.16
15	A	1493	1422	0.35
16	A	1438	1370	73.28
17	A	1427	1359	5.18
18	A	1408	1342	7.06
19	A	1337	1273	0.66
20	A	1297	1235	102.02
21	A	1206	1149	4.02
22	A	1145	1091	5.22
23	A	1137	1084	0.29
24	A	1070	1020	8.12
25	A	983	937	0.37
26	A	941	896	1.97
27	A	933	889	2.38
28	A	778	741	4.47
29	A	768	732	2.50
30	A	622	592	5.99
31	A	589	561	14.71
32	A	486	463	2.98
33	A	333	317	1.05
34	A	288	274	6.42
35	A	244	233	35.79
36	A	236	225	3.39
37	A	222	211	163.23
38	A	197	188	12.99
39	A	22	20	8.79

Atom	x (Å)	y (Å)	z (Å)
C1	-1.359	-1.269	-0.022
H2	-0.847	-2.174	-0.362
H3	-1.421	-1.302	1.070
H4	-2.374	-1.277	-0.431
C5	-1.360	1.268	-0.020
H6	-0.849	2.174	-0.360
H7	-1.422	1.301	1.071
C8	-0.617	0.000	-0.463
H9	-0.541	0.001	-1.558
N10	1.822	0.001	-0.758
H11	2.765	0.000	-0.403
H12	1.674	0.001	-1.752
C13	0.790	0.001	0.132
O14	0.989	-0.001	1.337
H15	-2.375	1.276	-0.429

	C1	H2	H3	H4	C5	H6	H7	C8	H9	N10	H11	H12	C13	O14	H15
C1		1.0945	1.0934	1.0942	2.5365	3.4967	2.7925	1.5345	2.1540	3.5027	4.3317	3.7155	2.5004	2.9942	2.7696
H2	1.0945		1.7718	1.7723	3.4967	4.3481	3.8023	2.1886	2.5006	3.4651	4.2162	3.6080	2.7663	3.3136	3.7733
H3	1.0934	1.7718		1.7772	2.7925	3.8023	2.6030	2.1661	3.0620	3.9439	4.6251	4.3865	2.7327	2.7522	3.1307
H4	1.0942	1.7723	1.7772		2.7697	3.7734	3.1308	2.1717	2.5019	4.3977	5.2953	4.4454	3.4578	4.0075	2.5522
C5	2.5365	3.4967	2.7925	2.7697		1.0945	1.0934	1.5345	2.1540	3.5034	4.3326	3.7159	2.5003	2.9950	1.0942
H6	3.4967	4.3481	3.8023	3.7734	1.0945		1.7718	2.1886	2.5006	3.4662	4.2179	3.6088	2.7662	3.3150	1.7723
H7	2.7925	3.8023	2.6030	3.1308	1.0934	1.7718		2.1661	3.0620	3.9445	4.6260	4.3869	2.7326	2.7531	1.7772
C8	1.5345	2.1886	2.1661	2.1717	1.5345	2.1886	2.1661		1.0974	2.4568	3.3832	2.6289	1.5278	2.4127	2.1717
H9	2.1540	2.5006	3.0620	2.5019	2.1540	2.5006	3.0620	1.0974		2.4949	3.5027	2.2239	2.1510	3.2747	2.5019
N10	3.5027	3.4651	3.9439	4.3977	3.5034	3.4662	3.9445	2.4568	2.4949		1.0083	1.0050	1.3622	2.2546	4.3982
H11	4.3317	4.2162	4.6251	5.2953	4.3326	4.2179	4.6260	3.3832	3.5027	1.0083		1.7355	2.0463	2.4865	5.2960
H12	3.7155	3.6080	4.3865	4.4454	3.7159	3.6088	4.3869	2.6289	2.2239	1.0050	1.7355		2.0807	3.1643	4.4458
C13	2.5004	2.7663	2.7327	3.4578	2.5003	2.7662	2.7326	1.5278	2.1510	1.3622	2.0463	2.0807		1.2219	3.4577
O14	2.9942	3.3136	2.7522	4.0075	2.9950	3.3150	2.7531	2.4127	3.2747	2.2546	2.4865	3.1643	1.2219		4.0081
H15	2.7696	3.7733	3.1307	2.5522	1.0942	1.7723	1.7772	2.1717	2.5019	4.3982	5.2960	4.4458	3.4577	4.0081

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C8	C5	111.479	C1	C8	H9	108.719
C1	C8	C13	109.471	H2	C1	H3	108.161
H2	C1	H4	108.138	H2	C1	C8	111.618
H3	C1	H4	108.660	H3	C1	C8	109.897
H4	C1	C8	110.285	C5	C8	H9	108.720
C5	C8	C13	109.467	H6	C5	H7	108.161
H6	C5	C8	111.618	H6	C5	H15	108.138
H7	C5	C8	109.898	H7	C5	H15	108.661
C8	C5	H15	110.283	C8	C13	N10	116.326
C8	C13	O14	122.276	H9	C8	C13	108.941
N10	C13	O14	121.398	H11	N10	H12	119.088
H11	N10	C13	118.600	H12	N10	C13	122.311

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

using model chemistry: wB97X-D/cc-pVDZ

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	-0.561
2	H	0.159
3	H	0.189
4	H	0.155
5	C	-0.561
6	H	0.159
7	H	0.189
8	C	0.075
9	H	0.121
10	N	-0.587
11	H	0.335
12	H	0.309
13	C	0.388
14	O	-0.524
15	H	0.155

	x	y	z	Total
	0.042	0.000	-3.851	3.851
CHELPG
AIM
ESP

	x	y	z
x	9.376	0.000	-0.299
y	0.000	7.794	0.000
z	-0.299	0.000	8.708

<r²>	173.293
(<r²>)^1/2	13.164

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

using model chemistry: wB97X-D/cc-pVDZ

States and conformations

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