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	hartrees
Energy at 0K
Energy at 298.15K	-0.101049
Nuclear repulsion energy	161.353056

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	2844	3022	158.24
2	A	2824	3000	165.19
3	A	2789	2963	27.10
4	A	2787	2960	37.26
5	A	2704	2872	127.60
6	A	2700	2868	84.98
7	A	2697	2865	26.91
8	A	2687	2854	6.16
9	A	2679	2846	26.24
10	A	1775	1886	477.84
11	A	1599	1699	54.89
12	A	1377	1463	303.89
13	A	1340	1424	8.19
14	A	1333	1416	95.10
15	A	1267	1346	1.99
16	A	1262	1340	40.84
17	A	1258	1337	78.80
18	A	1251	1329	4.54
19	A	1246	1323	25.88
20	A	1244	1321	108.19
21	A	1177	1250	12.58
22	A	1174	1247	9.14
23	A	1128	1198	5.74
24	A	1080	1147	77.21
25	A	978	1039	0.86
26	A	974	1035	19.90
27	A	953	1012	25.18
28	A	841	894	11.56
29	A	692	736	29.23
30	A	585	622	16.26
31	A	506	538	87.90
32	A	461	490	2.58
33	A	320	340	1.36
34	A	271	288	289.90
35	A	265	281	11.58
36	A	216	229	87.97
37	A	164	174	0.72
38	A	145	154	0.73
39	A	13i	14i	10.85

Atom	x (Å)	y (Å)	z (Å)
C1	-1.370	-1.270	-0.024
H2	-0.858	-2.175	-0.363
H3	-1.427	-1.312	1.069
H4	-2.390	-1.296	-0.418
C5	-1.370	1.270	-0.024
H6	-0.858	2.175	-0.363
H7	-1.427	1.312	1.069
C8	-0.636	-0.000	-0.484
H9	-0.587	-0.000	-1.595
N10	1.864	-0.000	-0.753
H11	2.807	-0.000	-0.402
H12	1.759	-0.000	-1.747
C13	0.784	-0.000	0.143
O14	0.984	-0.000	1.347
H15	-2.390	1.296	-0.418

	C1	H2	H3	H4	C5	H6	H7	C8	H9	N10	H11	H12	C13	O14	H15
C1		1.0936	1.0959	1.0936	2.5395	3.4991	2.8042	1.5372	2.1663	3.5498	4.3817	3.7908	2.5062	3.0052	2.7887
H2	1.0936		1.7662	1.7671	3.4991	4.3503	3.8122	2.1899	2.5148	3.5065	4.2622	3.6740	2.7723	3.3237	3.7942
H3	1.0959	1.7662		1.7715	2.8042	3.8122	2.6236	2.1818	3.0865	3.9839	4.6702	4.4500	2.7328	2.7585	3.1523
H4	1.0936	1.7671	1.7715		2.7887	3.7942	3.1522	2.1820	2.5131	4.4597	5.3559	4.5455	3.4741	4.0216	2.5913
C5	2.5395	3.4991	2.8042	2.7887		1.0936	1.0959	1.5372	2.1663	3.5498	4.3817	3.7907	2.5061	3.0052	1.0936
H6	3.4991	4.3503	3.8122	3.7942	1.0936		1.7662	2.1899	2.5148	3.5064	4.2621	3.6739	2.7722	3.3236	1.7671
H7	2.8042	3.8122	2.6236	3.1522	1.0959	1.7662		2.1818	3.0865	3.9839	4.6702	4.4500	2.7328	2.7584	1.7715
C8	1.5372	2.1899	2.1818	2.1820	1.5372	2.1899	2.1818		1.1122	2.5141	3.4434	2.7072	1.5524	2.4443	2.1820
H9	2.1663	2.5148	3.0865	2.5131	2.1663	2.5148	3.0865	1.1122		2.5923	3.5978	2.3513	2.2145	3.3353	2.5131
N10	3.5498	3.5065	3.9839	4.4597	3.5498	3.5064	3.9839	2.5141	2.5923		1.0057	0.9997	1.4030	2.2766	4.4597
H11	4.3817	4.2622	4.6702	5.3559	4.3817	4.2621	4.6702	3.4434	3.5978	1.0057		1.7046	2.0947	2.5263	5.3559
H12	3.7908	3.6740	4.4500	4.5455	3.7907	3.6739	4.4500	2.7072	2.3513	0.9997	1.7046		2.1266	3.1893	4.5454
C13	2.5062	2.7723	2.7328	3.4741	2.5061	2.7722	2.7328	1.5524	2.2145	1.4030	2.0947	2.1266		1.2200	3.4741
O14	3.0052	3.3237	2.7585	4.0216	3.0052	3.3236	2.7584	2.4443	3.3353	2.2766	2.5263	3.1893	1.2200		4.0216
H15	2.7887	3.7942	3.1523	2.5913	1.0936	1.7671	1.7715	2.1820	2.5131	4.4597	5.3559	4.5454	3.4741	4.0216

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C8	C5	111.386	C1	C8	H9	108.641
C1	C8	C13	108.421	H2	C1	H3	107.544
H2	C1	H4	107.787	H2	C1	C8	111.584
H3	C1	H4	108.013	H3	C1	C8	110.803
H4	C1	C8	110.950	C5	C8	H9	108.641
C5	C8	C13	108.419	H6	C5	H7	107.544
H6	C5	C8	111.584	H6	C5	H15	107.787
H7	C5	C8	110.802	H7	C5	H15	108.013
C8	C5	H15	110.950	C8	C13	N10	116.480
C8	C13	O14	123.244	H9	C8	C13	111.352
N10	C13	O14	120.276	H11	N10	H12	116.426
H11	N10	C13	119.923	H12	N10	C13	123.651

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

using model chemistry: PM6

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	-0.472
2	H	0.153
3	H	0.174
4	H	0.156
5	C	-0.472
6	H	0.153
7	H	0.174
8	C	-0.117
9	H	0.134
10	N	-0.616
11	H	0.273
12	H	0.262
13	C	0.584
14	O	-0.541
15	H	0.156

	x	y	z	Total
	0.651	-0.000	-3.711	3.768
CHELPG
AIM
ESP

	x	y	z
x	6.237	0.000	0.321
y	0.000	3.656	0.000
z	0.321	0.000	6.914

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: PM6

States and conformations

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