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	hartrees
Energy at 0K	-287.853195
Energy at 298.15K	-287.863545
Nuclear repulsion energy	248.559985

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3778	3614	37.71
2	A	3636	3478	35.98
3	A	3148	3011	30.26
4	A	3144	3007	2.97
5	A	3130	2994	40.22
6	A	3128	2992	18.03
7	A	3057	2925	14.32
8	A	3054	2922	34.00
9	A	3043	2911	35.28
10	A	1814	1736	289.13
11	A	1628	1558	129.55
12	A	1519	1453	20.70
13	A	1502	1437	12.75
14	A	1494	1429	2.16
15	A	1486	1422	1.23
16	A	1428	1366	75.50
17	A	1410	1349	4.69
18	A	1394	1334	6.82
19	A	1335	1277	0.67
20	A	1291	1235	86.88
21	A	1202	1150	3.47
22	A	1140	1091	5.78
23	A	1137	1088	0.12
24	A	1066	1020	6.16
25	A	982	940	0.23
26	A	934	893	2.39
27	A	931	891	3.28
28	A	788	754	5.86
29	A	767	733	4.02
30	A	620	593	6.35
31	A	603	577	13.43
32	A	477	456	3.05
33	A	325	311	0.95
34	A	291	278	5.02
35	A	244	234	11.49
36	A	244	233	5.32
37	A	223	213	66.55
38	A	209	200	114.83
39	A	19	19	8.96

Atom	x (Å)	y (Å)	z (Å)
C1	-1.348	-1.262	-0.024
H2	-0.847	-2.166	-0.377
H3	-1.385	-1.300	1.066
H4	-2.370	-1.266	-0.409
C5	-1.348	1.262	-0.024
H6	-0.846	2.166	-0.377
H7	-1.384	1.300	1.066
C8	-0.612	0.000	-0.471
H9	-0.535	0.000	-1.564
N10	1.815	0.000	-0.752
H11	2.756	0.000	-0.396
H12	1.666	0.000	-1.743
C13	0.787	-0.000	0.137
O14	0.966	-0.000	1.337
H15	-2.370	1.267	-0.409

	C1	H2	H3	H4	C5	H6	H7	C8	H9	N10	H11	H12	C13	O14	H15
C1		1.0925	1.0912	1.0923	2.5236	3.4821	2.7841	1.5277	2.1507	3.4826	4.3092	3.6927	2.4851	2.9663	2.7542
H2	1.0925		1.7671	1.7694	3.4821	4.3317	3.7925	2.1806	2.4893	3.4521	4.2033	3.5880	2.7611	3.3039	3.7554
H3	1.0912	1.7671		1.7742	2.7841	3.7925	2.5996	2.1560	3.0544	3.9031	4.5791	4.3465	2.6961	2.6998	3.1198
H4	1.0923	1.7694	1.7742		2.7542	3.7554	3.1198	2.1680	2.5114	4.3862	5.2799	4.4361	3.4451	3.9728	2.5331
C5	2.5236	3.4821	2.7841	2.7542		1.0925	1.0912	1.5277	2.1507	3.4824	4.3091	3.6926	2.4851	2.9663	1.0923
H6	3.4821	4.3317	3.7925	3.7554	1.0925		1.7671	2.1806	2.4893	3.4520	4.2030	3.5878	2.7611	3.3038	1.7694
H7	2.7841	3.7925	2.5996	3.1198	1.0912	1.7671		2.1560	3.0544	3.9030	4.5790	4.3464	2.6961	2.6997	1.7742
C8	1.5277	2.1806	2.1560	2.1680	1.5277	2.1806	2.1560		1.0961	2.4431	3.3680	2.6095	1.5247	2.3993	2.1680
H9	2.1507	2.4893	3.0544	2.5114	2.1507	2.4893	3.0544	1.0961		2.4862	3.4914	2.2084	2.1539	3.2663	2.5114
N10	3.4826	3.4521	3.9031	4.3862	3.4824	3.4520	3.9030	2.4431	2.4862		1.0055	1.0024	1.3591	2.2551	4.3862
H11	4.3092	4.2033	4.5791	5.2799	4.3091	4.2030	4.5790	3.3680	3.4914	1.0055		1.7326	2.0394	2.4911	5.2798
H12	3.6927	3.5880	4.3465	4.4361	3.6926	3.5878	4.3464	2.6095	2.2084	1.0024	1.7326		2.0757	3.1591	4.4360
C13	2.4851	2.7611	2.6961	3.4451	2.4851	2.7611	2.6961	1.5247	2.1539	1.3591	2.0394	2.0757		1.2137	3.4451
O14	2.9663	3.3039	2.6998	3.9728	2.9663	3.3038	2.6997	2.3993	3.2663	2.2551	2.4911	3.1591	1.2137		3.9727
H15	2.7542	3.7554	3.1198	2.5331	1.0923	1.7694	1.7742	2.1680	2.5114	4.3862	5.2798	4.4360	3.4451	3.9727

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C8	C5	111.368	C1	C8	H9	108.998
C1	C8	C13	109.003	H2	C1	H3	108.038
H2	C1	H4	108.169	H2	C1	C8	111.576
H3	C1	H4	108.691	H3	C1	C8	109.698
H4	C1	C8	110.583	C5	C8	H9	108.997
C5	C8	C13	109.003	H6	C5	H7	108.038
H6	C5	C8	111.576	H6	C5	H15	108.168
H7	C5	C8	109.698	H7	C5	H15	108.691
C8	C5	H15	110.583	C8	C13	N10	115.688
C8	C13	O14	121.960	H9	C8	C13	109.449
N10	C13	O14	122.352	H11	N10	H12	119.278
H11	N10	C13	118.416	H12	N10	C13	122.306

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

using model chemistry: mPW1PW91/6-311G**

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	-0.300
2	H	0.121
3	H	0.146
4	H	0.120
5	C	-0.300
6	H	0.121
7	H	0.146
8	C	-0.313
9	H	0.123
10	N	-0.475
11	H	0.239
12	H	0.232
13	C	0.409
14	O	-0.390
15	H	0.120

	x	y	z	Total
	0.305	0.000	-3.606	3.619
CHELPG
AIM
ESP

	x	y	z
x	8.970	0.000	-0.357
y	0.000	7.196	0.000
z	-0.357	0.000	8.047

<r²>	171.586
(<r²>)^1/2	13.099

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

using model chemistry: mPW1PW91/6-311G**

States and conformations

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