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	hartrees
Energy at 0K	-286.148529
Energy at 298.15K	-286.159182
HF Energy	-286.148529
Nuclear repulsion energy	249.362970

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3969	3606	54.73
2	A	3827	3477	57.96
3	A	3260	2962	49.68
4	A	3253	2956	2.76
5	A	3229	2934	67.26
6	A	3225	2930	22.12
7	A	3178	2888	26.66
8	A	3168	2879	46.13
9	A	3167	2878	24.86
10	A	1928	1751	405.33
11	A	1772	1610	129.02
12	A	1635	1486	18.17
13	A	1622	1474	9.29
14	A	1612	1465	2.35
15	A	1606	1460	0.50
16	A	1549	1407	67.82
17	A	1545	1404	3.01
18	A	1527	1388	2.07
19	A	1457	1324	0.59
20	A	1385	1258	160.47
21	A	1298	1179	8.94
22	A	1236	1123	9.18
23	A	1211	1100	0.02
24	A	1157	1052	12.67
25	A	1045	950	0.32
26	A	1013	920	1.31
27	A	977	887	0.78
28	A	848	771	11.19
29	A	814	740	1.14
30	A	671	610	10.49
31	A	619	563	13.86
32	A	514	467	3.92
33	A	347	315	1.13
34	A	309	281	6.96
35	A	261	237	3.88
36	A	261	237	0.26
37	A	227	206	1.93
38	A	193	175	233.96
39	A	28	25	9.72

Atom	x (Å)	y (Å)	z (Å)
C1	-1.353	-1.266	-0.020
H2	-0.833	-2.161	-0.345
H3	-1.440	-1.299	1.058
H4	-2.348	-1.282	-0.450
C5	-1.353	1.266	-0.020
H6	-0.833	2.162	-0.345
H7	-1.440	1.299	1.058
C8	-0.612	0.000	-0.457
H9	-0.534	0.000	-1.540
N10	1.812	0.000	-0.748
H11	2.742	0.000	-0.400
H12	1.665	0.000	-1.726
C13	0.790	-0.000	0.137
O14	0.981	-0.000	1.317
H15	-2.348	1.282	-0.450

	C1	H2	H3	H4	C5	H6	H7	C8	H9	N10	H11	H12	C13	O14	H15
C1		1.0850	1.0822	1.0844	2.5329	3.4823	2.7844	1.5307	2.1408	3.4856	4.3028	3.6909	2.4942	2.9736	2.7693
H2	1.0850		1.7552	1.7555	3.4823	4.3230	3.7834	2.1756	2.4875	3.4394	4.1777	3.5805	2.7457	3.2754	3.7635
H3	1.0822	1.7552		1.7605	2.7844	3.7834	2.5986	2.1603	3.0423	3.9399	4.6150	4.3681	2.7403	2.7601	3.1243
H4	1.0844	1.7555	1.7605		2.7693	3.7635	3.1242	2.1583	2.4746	4.3635	5.2493	4.4025	3.4406	3.9817	2.5636
C5	2.5329	3.4823	2.7844	2.7693		1.0850	1.0822	1.5307	2.1408	3.4855	4.3027	3.6909	2.4942	2.9736	1.0844
H6	3.4823	4.3230	3.7834	3.7635	1.0850		1.7552	2.1756	2.4875	3.4392	4.1775	3.5803	2.7456	3.2754	1.7555
H7	2.7844	3.7834	2.5986	3.1242	1.0822	1.7552		2.1603	3.0423	3.9398	4.6149	4.3680	2.7403	2.7601	1.7605
C8	1.5307	2.1756	2.1603	2.1583	1.5307	2.1756	2.1603		1.0859	2.4413	3.3542	2.6073	1.5225	2.3844	2.1583
H9	2.1408	2.4875	3.0423	2.4746	2.1408	2.4875	3.0423	1.0859		2.4756	3.4680	2.2069	2.1360	3.2337	2.4746
N10	3.4856	3.4394	3.9399	4.3635	3.4855	3.4392	3.9398	2.4413	2.4756		0.9928	0.9891	1.3515	2.2258	4.3635
H11	4.3028	4.1777	4.6150	5.2493	4.3027	4.1775	4.6149	3.3542	3.4680	0.9928		1.7080	2.0240	2.4589	5.2493
H12	3.6909	3.5805	4.3681	4.4025	3.6909	3.5803	4.3680	2.6073	2.2069	0.9891	1.7080		2.0582	3.1191	4.4025
C13	2.4942	2.7457	2.7403	3.4406	2.4942	2.7456	2.7403	1.5225	2.1360	1.3515	2.0240	2.0582		1.1958	3.4406
O14	2.9736	3.2754	2.7601	3.9817	2.9736	3.2754	2.7601	2.3844	3.2337	2.2258	2.4589	3.1191	1.1958		3.9817
H15	2.7693	3.7635	3.1243	2.5636	1.0844	1.7555	1.7605	2.1583	2.4746	4.3635	5.2493	4.4025	3.4406	3.9817

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C8	C5	111.656	C1	C8	H9	108.608
C1	C8	C13	109.556	H2	C1	H3	108.172
H2	C1	H4	108.042	H2	C1	C8	111.419
H3	C1	H4	108.693	H3	C1	C8	110.357
H4	C1	C8	110.074	C5	C8	H9	108.608
C5	C8	C13	109.556	H6	C5	H7	108.172
H6	C5	C8	111.418	H6	C5	H15	108.042
H7	C5	C8	110.356	H7	C5	H15	108.693
C8	C5	H15	110.075	C8	C13	N10	116.178
C8	C13	O14	122.146	H9	C8	C13	108.801
N10	C13	O14	121.676	H11	N10	H12	119.045
H11	N10	C13	118.590	H12	N10	C13	122.365

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

using model chemistry: HF/TZVP

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	-0.314
2	H	0.085
3	H	0.115
4	H	0.091
5	C	-0.314
6	H	0.085
7	H	0.115
8	C	0.063
9	H	0.062
10	N	-0.421
11	H	0.254
12	H	0.244
13	C	0.311
14	O	-0.466
15	H	0.091

	x	y	z	Total
	0.124	-0.000	-3.934	3.936
CHELPG
AIM
ESP

	x	y	z
x	8.423	0.000	0.222
y	0.000	7.168	0.000
z	0.222	0.000	7.922

<r²>	171.853
(<r²>)^1/2	13.109

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

using model chemistry: HF/TZVP

States and conformations

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