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	hartrees
Energy at 0K	-285.050500
Energy at 298.15K	-285.061174
HF Energy	-284.455009
Nuclear repulsion energy	245.830287

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3703	3535	28.24
2	A	3564	3402	36.80
3	A	3184	3039	16.36
4	A	3163	3019	28.03
5	A	3159	3016	15.62
6	A	3159	3015	21.47
7	A	3093	2952	13.85
8	A	3088	2948	16.78
9	A	3081	2941	17.20
10	A	1732	1653	185.55
11	A	1695	1617	32.00
12	A	1608	1535	12.53
13	A	1602	1529	9.49
14	A	1590	1518	0.59
15	A	1588	1516	3.07
16	A	1499	1431	16.71
17	A	1480	1413	6.01
18	A	1418	1354	16.26
19	A	1391	1327	20.28
20	A	1310	1250	136.90
21	A	1248	1191	8.60
22	A	1164	1111	3.13
23	A	1154	1101	8.39
24	A	1085	1036	8.19
25	A	1011	965	0.61
26	A	989	944	2.97
27	A	912	871	2.90
28	A	775	740	13.76
29	A	732	699	9.40
30	A	615	587	7.66
31	A	583	557	53.44
32	A	485	463	5.14
33	A	395	377	251.08
34	A	363	346	2.71
35	A	309	295	8.88
36	A	255	243	5.33
37	A	239	228	0.39
38	A	201	192	0.21
39	A	49	47	4.60

Atom	x (Å)	y (Å)	z (Å)
C1	-1.601	-0.970	-0.341
H2	-1.320	-1.742	-1.065
H3	-1.552	-1.411	0.658
H4	-2.626	-0.643	-0.550
C5	-1.077	1.363	0.549
H6	-0.379	2.206	0.514
H7	-1.105	0.976	1.574
C8	-0.631	0.226	-0.413
H9	-0.593	0.617	-1.439
N10	1.782	0.644	-0.368
H11	2.737	0.427	-0.109
H12	1.600	1.470	-0.919
C13	0.782	-0.239	-0.012
O14	1.001	-1.300	0.617
H15	-2.077	1.718	0.279

	C1	H2	H3	H4	C5	H6	H7	C8	H9	N10	H11	H12	C13	O14	H15
C1		1.0946	1.0931	1.0953	2.5518	3.5094	2.7754	1.5420	2.1771	3.7485	4.5634	4.0666	2.5143	2.7929	2.7996
H2	1.0946		1.7698	1.7823	3.5077	4.3549	3.7943	2.1842	2.4959	3.9746	4.6983	4.3431	2.7901	2.9007	3.7880
H3	1.0931	1.7698		1.7895	2.8160	3.8049	2.5952	2.1616	3.0698	4.0476	4.7277	4.5515	2.6951	2.5552	3.1951
H4	1.0953	1.7823	1.7895		2.7622	3.7810	3.0734	2.1801	2.5511	4.5949	5.4856	4.7386	3.4729	3.8661	2.5616
C5	2.5518	3.5077	2.8160	2.7622		1.0952	1.0957	1.5552	2.1777	3.0874	3.9817	3.0548	2.5172	3.3787	1.0952
H6	3.5094	4.3549	3.8049	3.7810	1.0952		1.7785	2.2013	2.5268	2.8089	3.6418	2.5517	2.7576	3.7697	1.7825
H7	2.7754	3.7943	2.5952	3.0734	1.0957	1.7785		2.1761	3.0766	3.4945	4.2292	3.7110	2.7474	3.2449	1.7815
C8	1.5420	2.1842	2.1616	2.1801	1.5552	2.2013	2.1761		1.0980	2.4489	3.3870	2.6037	1.5401	2.4601	2.1906
H9	2.1771	2.4959	3.0698	2.5511	2.1777	2.5268	3.0766	1.0980		2.6049	3.5901	2.4093	2.1580	3.2311	2.5233
N10	3.7485	3.9746	4.0476	4.5949	3.0874	2.8089	3.4945	2.4489	2.6049		1.0128	1.0103	1.3809	2.3147	4.0578
H11	4.5634	4.6983	4.7277	5.4856	3.9817	3.6418	4.2292	3.3870	3.5901	1.0128		1.7432	2.0676	2.5536	4.9992
H12	4.0666	4.3431	4.5515	4.7386	3.0548	2.5517	3.7110	2.6037	2.4093	1.0103	1.7432		2.1013	3.2240	3.8751
C13	2.5143	2.7901	2.6951	3.4729	2.5172	2.7576	2.7474	1.5401	2.1580	1.3809	2.0676	2.1013		1.2526	3.4769
O14	2.7929	2.9007	2.5552	3.8661	3.3787	3.7697	3.2449	2.4601	3.2311	2.3147	2.5536	3.2240	1.2526		4.3243
H15	2.7996	3.7880	3.1951	2.5616	1.0952	1.7825	1.7815	2.1906	2.5233	4.0578	4.9992	3.8751	3.4769	4.3243

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C8	C5	110.954	C1	C8	H9	109.962
C1	C8	C13	109.329	H2	C1	H3	107.998
H2	C1	H4	108.948	H2	C1	C8	110.727
H3	C1	H4	109.723	H3	C1	C8	109.044
H4	C1	C8	110.362	C5	C8	H9	109.109
C5	C8	C13	108.827	H6	C5	H7	108.538
H6	C5	C8	111.118	H6	C5	H15	108.933
H7	C5	C8	109.121	H7	C5	H15	108.806
C8	C5	H15	110.276	C8	C13	N10	113.829
C8	C13	O14	123.178	H9	C8	C13	108.616
N10	C13	O14	122.957	H11	N10	H12	119.006
H11	N10	C13	118.683	H12	N10	C13	122.228

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

using model chemistry: MP2/3-21G

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	ESP
1	C	-0.495	-0.472
2	H	0.190	0.108
3	H	0.204	0.128
4	H	0.171	0.130
5	C	-0.498	-0.345
6	H	0.174	0.078
7	H	0.196	0.109
8	C	-0.375	0.153
9	H	0.191	0.007
10	N	-0.784	-0.987
11	H	0.322	0.425
12	H	0.319	0.404
13	C	0.680	0.650
14	O	-0.482	-0.481
15	H	0.187	0.094

	x	y	z	Total
	0.359	2.998	-1.577	3.407
CHELPG
AIM
ESP	0.363	2.990	-1.566	3.395

	x	y	z
x	7.398	0.291	0.036
y	0.291	7.262	-0.770
z	0.036	-0.770	5.572

<r²>	175.138
(<r²>)^1/2	13.234

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

using model chemistry: MP2/3-21G

States and conformations

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