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	hartrees
Energy at 0K	-287.850965
Energy at 298.15K
HF Energy	-287.850965
Nuclear repulsion energy	246.978749

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3708	3558	24.50
2	A	3576	3431	23.89
3	A	3141	3014	39.13
4	A	3138	3011	3.62
5	A	3120	2993	49.34
6	A	3117	2991	23.33
7	A	3053	2929	18.75
8	A	3050	2926	41.08
9	A	3026	2903	42.38
10	A	1787	1715	248.77
11	A	1647	1581	97.14
12	A	1556	1492	10.45
13	A	1541	1478	9.36
14	A	1534	1472	1.15
15	A	1527	1465	0.33
16	A	1446	1387	22.37
17	A	1422	1365	1.76
18	A	1417	1360	43.56
19	A	1349	1294	2.61
20	A	1290	1238	111.89
21	A	1209	1160	3.22
22	A	1139	1093	5.85
23	A	1128	1082	0.05
24	A	1061	1018	5.39
25	A	982	942	0.20
26	A	936	898	2.03
27	A	920	883	3.21
28	A	766	735	5.34
29	A	754	724	3.36
30	A	604	580	5.65
31	A	603	579	14.37
32	A	464	445	3.39
33	A	317	304	0.78
34	A	282	271	4.09
35	A	238	228	6.33
36	A	237	228	0.19
37	A	214	205	0.51
38	A	30	29	16.04
39	A	18i	17i	216.87

Atom	x (Å)	y (Å)	z (Å)
C1	-1.358	-1.268	-0.024
H2	-0.846	-2.175	-0.367
H3	-1.410	-1.299	1.069
H4	-2.377	-1.277	-0.426
C5	-1.358	1.268	-0.024
H6	-0.846	2.175	-0.367
H7	-1.410	1.299	1.069
C8	-0.614	0.000	-0.474
H9	-0.546	0.000	-1.572
N10	1.826	0.000	-0.761
H11	2.774	0.000	-0.407
H12	1.683	0.000	-1.760
C13	0.793	0.000	0.140
O14	0.974	-0.000	1.351
H15	-2.377	1.277	-0.426

	C1	H2	H3	H4	C5	H6	H7	C8	H9	N10	H11	H12	C13	O14	H15
C1		1.0960	1.0944	1.0960	2.5363	3.4975	2.7904	1.5377	2.1596	3.5058	4.3396	3.7248	2.5023	2.9894	2.7712
H2	1.0960		1.7739	1.7757	3.4975	4.3492	3.8007	2.1896	2.5042	3.4680	4.2239	3.6154	2.7701	3.3158	3.7765
H3	1.0944	1.7739		1.7807	2.7905	3.8007	2.5979	2.1686	3.0672	3.9382	4.6236	4.3889	2.7211	2.7297	3.1316
H4	1.0960	1.7757	1.7807		2.7712	3.7765	3.1315	2.1778	2.5095	4.4062	5.3079	4.4613	3.4645	4.0027	2.5542
C5	2.5363	3.4975	2.7905	2.7712		1.0960	1.0944	1.5377	2.1596	3.5058	4.3396	3.7247	2.5023	2.9894	1.0960
H6	3.4975	4.3492	3.8007	3.7765	1.0960		1.7739	2.1896	2.5042	3.4680	4.2238	3.6151	2.7701	3.3158	1.7757
H7	2.7904	3.8007	2.5979	3.1315	1.0944	1.7739		2.1686	3.0672	3.9382	4.6235	4.3887	2.7211	2.7297	1.7807
C8	1.5377	2.1896	2.1686	2.1778	1.5377	2.1896	2.1686		1.0995	2.4571	3.3892	2.6329	1.5353	2.4197	2.1778
H9	2.1596	2.5042	3.0672	2.5095	2.1596	2.5042	3.0672	1.0995		2.5074	3.5190	2.2376	2.1733	3.2947	2.5095
N10	3.5058	3.4680	3.9382	4.4062	3.5058	3.4680	3.9382	2.4571	2.5074		1.0119	1.0097	1.3706	2.2772	4.4062
H11	4.3396	4.2239	4.6236	5.3079	4.3396	4.2238	4.6235	3.3892	3.5190	1.0119		1.7381	2.0555	2.5165	5.3078
H12	3.7248	3.6154	4.3889	4.4613	3.7247	3.6151	4.3887	2.6329	2.2376	1.0097	1.7381		2.0982	3.1911	4.4611
C13	2.5023	2.7701	2.7211	3.4645	2.5023	2.7701	2.7211	1.5353	2.1733	1.3706	2.0555	2.0982		1.2248	3.4645
O14	2.9894	3.3158	2.7297	4.0027	2.9894	3.3158	2.7297	2.4197	3.2947	2.2772	2.5165	3.1911	1.2248		4.0027
H15	2.7712	3.7765	3.1316	2.5542	1.0960	1.7757	1.7807	2.1778	2.5095	4.4062	5.3078	4.4611	3.4645	4.0027

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C8	C5	111.112	C1	C8	H9	108.807
C1	C8	C13	109.032	H2	C1	H3	108.160
H2	C1	H4	108.210	H2	C1	C8	111.376
H3	C1	H4	108.775	H3	C1	C8	109.810
H4	C1	C8	110.435	C5	C8	H9	108.808
C5	C8	C13	109.032	H6	C5	H7	108.160
H6	C5	C8	111.376	H6	C5	H15	108.210
H7	C5	C8	109.810	H7	C5	H15	108.775
C8	C5	H15	110.435	C8	C13	N10	115.350
C8	C13	O14	122.082	H9	C8	C13	110.041
N10	C13	O14	122.568	H11	N10	H12	118.580
H11	N10	C13	118.484	H12	N10	C13	122.936

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

using model chemistry: TPSSh/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	-0.478
2	H	0.159
3	H	0.187
4	H	0.156
5	C	-0.478
6	H	0.159
7	H	0.187
8	C	-0.202
9	H	0.136
10	N	-0.781
11	H	0.352
12	H	0.346
13	C	0.622
14	O	-0.522
15	H	0.156

	x	y	z	Total
	-0.340	-0.002	-3.524	3.541
CHELPG
AIM
ESP

	x	y	z
x	8.608	0.000	0.334
y	0.000	6.479	0.000
z	0.334	0.000	7.759

<r²>	173.180
(<r²>)^1/2	13.160

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

using model chemistry: TPSSh/6-31G*

States and conformations

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