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	hartrees
Energy at 0K	-287.755081
Energy at 298.15K	-287.765206
Nuclear repulsion energy	247.526522

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3738	3608	36.09
2	A	3588	3463	32.27
3	A	3148	3038	14.82
4	A	3138	3028	11.53
5	A	3130	3020	27.40
6	A	3125	3016	22.66
7	A	3048	2941	20.14
8	A	3042	2936	29.11
9	A	3029	2923	36.43
10	A	1806	1743	265.38
11	A	1586	1530	128.98
12	A	1487	1435	18.59
13	A	1468	1417	10.30
14	A	1460	1409	1.36
15	A	1451	1401	0.92
16	A	1409	1360	56.16
17	A	1387	1338	4.58
18	A	1371	1323	7.24
19	A	1325	1278	6.39
20	A	1272	1228	68.67
21	A	1187	1145	3.02
22	A	1134	1095	0.43
23	A	1119	1080	5.45
24	A	1053	1016	5.02
25	A	973	939	0.45
26	A	928	895	3.49
27	A	922	890	1.95
28	A	776	748	3.90
29	A	761	734	4.73
30	A	611	590	6.44
31	A	594	573	11.20
32	A	471	455	2.84
33	A	326	315	0.58
34	A	293	283	4.35
35	A	242	234	5.52
36	A	235	227	1.06
37	A	213	206	0.47
38	A	113	109	174.16
39	A	18	18	8.41

Atom	x (Å)	y (Å)	z (Å)
C1	-1.467	-1.055	-0.499
H2	-1.068	-1.760	-1.244
H3	-1.471	-1.565	0.476
H4	-2.504	-0.813	-0.778
C5	-1.230	1.239	0.545
H6	-0.631	2.163	0.587
H7	-1.281	0.821	1.562
C8	-0.618	0.212	-0.415
H9	-0.545	0.666	-1.420
N10	1.812	0.430	-0.619
H11	2.756	0.294	-0.280
H12	1.651	1.082	-1.372
C13	0.787	-0.140	0.078
O14	0.979	-0.867	1.040
H15	-2.250	1.508	0.229

	C1	H2	H3	H4	C5	H6	H7	C8	H9	N10	H11	H12	C13	O14	H15
C1		1.1012	1.1001	1.1011	2.5311	3.4973	2.7931	1.5275	2.1591	3.6013	4.4390	3.8796	2.5003	2.8956	2.7772
H2	1.1012		1.7776	1.7832	3.4958	4.3513	3.8189	2.1860	2.4885	3.6713	4.4465	3.9352	2.7954	3.1941	3.7751
H3	1.1001	1.7776		1.7904	2.8144	3.8221	2.6280	2.1628	3.0707	3.9937	4.6789	4.4905	2.6990	2.6083	3.1797
H4	1.1011	1.7832	1.7904		2.7535	3.7716	3.1051	2.1773	2.5375	4.4943	5.3989	4.6055	3.4668	3.9291	2.5427
C5	2.5311	3.4958	2.8144	2.7535		1.1017	1.1010	1.5333	2.1581	3.3556	4.1791	3.4638	2.4873	3.0914	1.1013
H6	3.4973	4.3513	3.8221	3.7716	1.1017		1.7809	2.1934	2.5053	3.2290	3.9651	3.1961	2.7518	3.4604	1.7823
H7	2.7931	3.8189	2.6280	3.1051	1.1010	1.7809		2.1728	3.0756	3.8041	4.4686	4.1558	2.7203	2.8680	1.7860
C8	1.5275	2.1860	2.1628	2.1773	1.5333	2.1934	2.1728		1.1052	2.4477	3.3779	2.6113	1.5300	2.4146	2.1817
H9	2.1591	2.4885	3.0707	2.5375	2.1581	2.5053	3.0756	1.1052		2.5008	3.5128	2.2356	2.1612	3.2750	2.5169
N10	3.6013	3.6713	3.9937	4.4943	3.3556	3.2290	3.8041	2.4477	2.5008		1.0127	1.0096	1.3639	2.2642	4.2872
H11	4.4390	4.4465	4.6789	5.3989	4.1791	3.9651	4.4686	3.3779	3.5128	1.0127		1.7427	2.0481	2.4999	5.1767
H12	3.8796	3.9352	4.4905	4.6055	3.4638	3.1961	4.1558	2.6113	2.2356	1.0096	1.7427		2.0841	3.1732	4.2381
C13	2.5003	2.7954	2.6990	3.4668	2.4873	2.7518	2.7203	1.5300	2.1612	1.3639	2.0481	2.0841		1.2207	3.4587
O14	2.8956	3.1941	2.6083	3.9291	3.0914	3.4604	2.8680	2.4146	3.2750	2.2642	2.4999	3.1732	1.2207		4.0894
H15	2.7772	3.7751	3.1797	2.5427	1.1013	1.7823	1.7860	2.1817	2.5169	4.2872	5.1767	4.2381	3.4587	4.0894

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C8	C5	111.568	C1	C8	H9	109.140
C1	C8	C13	109.720	H2	C1	H3	107.716
H2	C1	H4	108.133	H2	C1	C8	111.499
H3	C1	H4	108.859	H3	C1	C8	109.730
H4	C1	C8	110.809	C5	C8	H9	108.672
C5	C8	C13	108.573	H6	C5	H7	107.902
H6	C5	C8	111.644	H6	C5	H15	108.009
H7	C5	C8	110.053	H7	C5	H15	108.380
C8	C5	H15	110.740	C8	C13	N10	115.397
C8	C13	O14	122.361	H9	C8	C13	109.128
N10	C13	O14	122.236	H11	N10	H12	119.022
H11	N10	C13	118.280	H12	N10	C13	122.105

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

using model chemistry: B3PW91/cc-pVDZ

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	-0.026
2	H	0.041
3	H	0.061
4	H	0.032
5	C	-0.030
6	H	0.036
7	H	0.059
8	C	-0.200
9	H	0.007
10	N	-0.117
11	H	0.113
12	H	0.106
13	C	0.156
14	O	-0.279
15	H	0.041

	x	y	z	Total
	0.334	2.347	-2.622	3.535
CHELPG
AIM
ESP

	x	y	z
x	0.000	0.000	0.000
y	0.000	0.000	0.000
z	0.000	0.000	0.000

<r²>	172.556
(<r²>)^1/2	13.136

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

using model chemistry: B3PW91/cc-pVDZ

States and conformations

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