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	hartrees
Energy at 0K	-287.115543
Energy at 298.15K
HF Energy	-286.146229
Nuclear repulsion energy	248.338066

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3785	3588	46.59
2	A	3633	3444	50.88
3	A	3184	3018	24.79
4	A	3180	3014	3.36
5	A	3169	3004	36.66
6	A	3167	3002	13.52
7	A	3091	2930	27.14
8	A	3081	2920	14.93
9	A	3080	2919	29.24
10	A	1777	1684	271.29
11	A	1635	1549	102.14
12	A	1535	1455	14.85
13	A	1526	1447	10.95
14	A	1514	1435	2.79
15	A	1503	1425	0.03
16	A	1443	1367	39.06
17	A	1433	1359	29.17
18	A	1417	1344	4.61
19	A	1350	1280	1.04
20	A	1294	1227	112.32
21	A	1221	1157	5.69
22	A	1149	1089	0.61
23	A	1149	1089	3.82
24	A	1068	1012	7.45
25	A	997	945	0.31
26	A	949	899	0.83
27	A	947	897	1.65
28	A	776	735	2.53
29	A	767	727	1.00
30	A	625	592	5.10
31	A	591	560	11.55
32	A	484	459	2.95
33	A	330	313	0.84
34	A	297	281	3.26
35	A	262	248	5.56
36	A	249	236	0.02
37	A	204	193	0.03
38	A	42	40	5.87
39	A	270i	256i	208.76

Atom	x (Å)	y (Å)	z (Å)
C1	-1.346	-1.258	-0.025
H2	-0.823	-2.160	-0.349
H3	-1.420	-1.277	1.062
H4	-2.351	-1.274	-0.447
C5	-1.346	1.258	-0.025
H6	-0.822	2.160	-0.349
H7	-1.420	1.277	1.062
C8	-0.607	0.000	-0.472
H9	-0.528	0.000	-1.563
N10	1.811	0.000	-0.760
H11	2.756	0.000	-0.412
H12	1.656	0.000	-1.752
C13	0.785	-0.000	0.142
O14	0.963	-0.000	1.349
H15	-2.351	1.274	-0.447

	C1	H2	H3	H4	C5	H6	H7	C8	H9	N10	H11	H12	C13	O14	H15
C1		1.0914	1.0900	1.0910	2.5168	3.4731	2.7598	1.5260	2.1487	3.4767	4.3075	3.6843	2.4804	2.9669	2.7572
H2	1.0914		1.7687	1.7697	3.4731	4.3194	3.7631	2.1739	2.4948	3.4305	4.1800	3.5741	2.7370	3.2770	3.7598
H3	1.0900	1.7687		1.7739	2.7598	3.7631	2.5542	2.1553	3.0526	3.9233	4.6089	4.3603	2.7095	2.7190	3.1071
H4	1.0910	1.7697	1.7739		2.7572	3.7598	3.1070	2.1600	2.4880	4.3640	5.2637	4.4024	3.4364	3.9796	2.5475
C5	2.5168	3.4731	2.7598	2.7572		1.0913	1.0900	1.5260	2.1487	3.4767	4.3074	3.6843	2.4803	2.9669	1.0910
H6	3.4731	4.3194	3.7631	3.7598	1.0913		1.7687	2.1739	2.4949	3.4304	4.1799	3.5740	2.7369	3.2769	1.7697
H7	2.7598	3.7631	2.5542	3.1070	1.0900	1.7687		2.1552	3.0525	3.9232	4.6088	4.3603	2.7095	2.7190	1.7739
C8	1.5260	2.1739	2.1553	2.1600	1.5260	2.1739	2.1552		1.0941	2.4351	3.3633	2.5999	1.5216	2.4046	2.1601
H9	2.1487	2.4948	3.0526	2.4880	2.1487	2.4949	3.0525	1.0941		2.4731	3.4800	2.1922	2.1524	3.2722	2.4880
N10	3.4767	3.4305	3.9233	4.3640	3.4767	3.4304	3.9232	2.4351	2.4731		1.0070	1.0039	1.3661	2.2738	4.3640
H11	4.3075	4.1800	4.6089	5.2637	4.3074	4.1799	4.6088	3.3633	3.4800	1.0070		1.7339	2.0468	2.5133	5.2636
H12	3.6843	3.5741	4.3603	4.4024	3.6843	3.5740	4.3603	2.5999	2.1922	1.0039	1.7339		2.0846	3.1781	4.4024
C13	2.4804	2.7370	2.7095	3.4364	2.4803	2.7369	2.7095	1.5216	2.1524	1.3661	2.0468	2.0846		1.2205	3.4364
O14	2.9669	3.2770	2.7190	3.9796	2.9669	3.2769	2.7190	2.4046	3.2722	2.2738	2.5133	3.1781	1.2205		3.9796
H15	2.7572	3.7598	3.1071	2.5475	1.0910	1.7697	1.7739	2.1601	2.4880	4.3640	5.2636	4.4024	3.4364	3.9796

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C8	C5	111.108	C1	C8	H9	109.072
C1	C8	C13	108.953	H2	C1	H3	108.354
H2	C1	H4	108.372	H2	C1	C8	111.232
H3	C1	H4	108.845	H3	C1	C8	109.830
H4	C1	C8	110.148	C5	C8	H9	109.072
C5	C8	C13	108.952	H6	C5	H7	108.354
H6	C5	C8	111.232	H6	C5	H15	108.372
H7	C5	C8	109.829	H7	C5	H15	108.845
C8	C5	H15	110.148	C8	C13	N10	114.866
C8	C13	O14	122.164	H9	C8	C13	109.668
N10	C13	O14	122.970	H11	N10	H12	119.135
H11	N10	C13	118.415	H12	N10	C13	122.451

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

using model chemistry: MP2/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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All results from a given calculation for C4H9NO (Propanamide, 2-methyl-)

using model chemistry: MP2/TZVP

States and conformations

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