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	hartrees
Energy at 0K	-53.759463
Energy at 298.15K	-53.770102
Nuclear repulsion energy	136.891148

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3796	3635	29.87
2	A	3635	3481	38.90
3	A	3177	3042	62.36
4	A	3173	3038	4.62
5	A	3163	3028	68.40
6	A	3158	3024	29.37
7	A	3079	2948	41.39
8	A	3065	2935	46.75
9	A	3065	2934	27.26
10	A	1702	1629	296.28
11	A	1642	1572	82.64
12	A	1522	1457	25.98
13	A	1510	1445	17.44
14	A	1503	1439	4.75
15	A	1495	1432	1.87
16	A	1433	1373	66.25
17	A	1423	1362	42.15
18	A	1417	1356	13.66
19	A	1329	1272	0.05
20	A	1292	1237	89.94
21	A	1205	1154	4.93
22	A	1146	1097	0.22
23	A	1129	1081	10.75
24	A	1073	1027	12.79
25	A	991	949	0.10
26	A	948	908	8.02
27	A	938	898	3.27
28	A	766	734	2.10
29	A	765	733	51.80
30	A	628	602	181.89
31	A	604	579	4.53
32	A	547	524	111.99
33	A	464	445	2.64
34	A	315	301	0.82
35	A	278	266	6.96
36	A	244	234	4.78
37	A	244	233	0.45
38	A	213	204	0.88
39	A	35	33	9.80

Atom	x (Å)	y (Å)	z (Å)
C1	-1.371	-1.274	-0.023
H2	-0.869	-2.192	-0.370
H3	-1.410	-1.300	1.076
H4	-2.401	-1.273	-0.413
C5	-1.370	1.274	-0.024
H6	-0.869	2.192	-0.371
H7	-1.409	1.300	1.075
C8	-0.620	-0.000	-0.487
H9	-0.538	-0.000	-1.588
N10	1.848	-0.000	-0.768
H11	2.793	-0.000	-0.399
H12	1.707	-0.001	-1.770
C13	0.791	-0.000	0.127
O14	0.985	0.000	1.374
H15	-2.401	1.273	-0.413

	C1	H2	H3	H4	C5	H6	H7	C8	H9	N10	H11	H12	C13	O14	H15
C1		1.1020	1.1005	1.1017	2.5476	3.5191	2.7992	1.5493	2.1819	3.5408	4.3699	3.7606	2.5135	3.0206	2.7752
H2	1.1020		1.7828	1.7868	3.5191	4.3842	3.8181	2.2093	2.5292	3.5142	4.2682	3.6608	2.7945	3.3594	3.7892
H3	1.1005	1.7828		1.7890	2.7992	3.8181	2.6001	2.1806	3.0891	3.9628	4.6395	4.4159	2.7261	2.7409	3.1341
H4	1.1017	1.7868	1.7890		2.7752	3.7892	3.1341	2.1910	2.5438	4.4503	5.3477	4.5098	3.4790	4.0348	2.5467
C5	2.5476	3.5191	2.7992	2.7752		1.1020	1.1005	1.5494	2.1819	3.5408	4.3698	3.7605	2.5135	3.0204	1.1017
H6	3.5191	4.3842	3.8181	3.7892	1.1020		1.7828	2.2094	2.5292	3.5141	4.2680	3.6607	2.7946	3.3591	1.7868
H7	2.7992	3.8181	2.6001	3.1341	1.1005	1.7828		2.1806	3.0891	3.9627	4.6394	4.4158	2.7261	2.7407	1.7890
C8	1.5493	2.2093	2.1806	2.1910	1.5494	2.2094	2.1806		1.1040	2.4840	3.4135	2.6570	1.5385	2.4568	2.1910
H9	2.1819	2.5292	3.0891	2.5438	2.1819	2.5292	3.0891	1.1040		2.5234	3.5367	2.2526	2.1699	3.3302	2.5438
N10	3.5408	3.5142	3.9628	4.4503	3.5408	3.5141	3.9627	2.4840	2.5234		1.0140	1.0116	1.3856	2.3095	4.4503
H11	4.3699	4.2682	4.6395	5.3477	4.3698	4.2680	4.6394	3.4135	3.5367	1.0140		1.7488	2.0698	2.5321	5.3476
H12	3.7606	3.6608	4.4159	4.5098	3.7605	3.6607	4.4158	2.6570	2.2526	1.0116	1.7488		2.1068	3.2256	4.5098
C13	2.5135	2.7945	2.7261	3.4790	2.5135	2.7946	2.7261	1.5385	2.1699	1.3856	2.0698	2.1068		1.2614	3.4790
O14	3.0206	3.3594	2.7409	4.0348	3.0204	3.3591	2.7407	2.4568	3.3302	2.3095	2.5321	3.2256	1.2614		4.0347
H15	2.7752	3.7892	3.1341	2.5467	1.1017	1.7868	1.7890	2.1910	2.5438	4.4503	5.3476	4.5098	3.4790	4.0347

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C8	C5	110.603	C1	C8	H9	109.489
C1	C8	C13	108.971	H2	C1	H3	108.076
H2	C1	H4	108.344	H2	C1	C8	111.766
H3	C1	H4	108.654	H3	C1	C8	109.588
H4	C1	C8	110.330	C5	C8	H9	109.489
C5	C8	C13	108.972	H6	C5	H7	108.076
H6	C5	C8	111.766	H6	C5	H15	108.344
H7	C5	C8	109.588	H7	C5	H15	108.654
C8	C5	H15	110.330	C8	C13	N10	116.211
C8	C13	O14	122.360	H9	C8	C13	109.295
N10	C13	O14	121.429	H11	N10	H12	119.380
H11	N10	C13	118.387	H12	N10	C13	122.233

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

using model chemistry: B1B95/CEP-31G

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	-0.507
2	H	0.154
3	H	0.179
4	H	0.157
5	C	-0.507
6	H	0.154
7	H	0.179
8	C	0.014
9	H	0.120
10	N	-0.403
11	H	0.327
12	H	0.314
13	C	-0.202
14	O	-0.137
15	H	0.157

	x	y	z	Total
	0.087	-0.001	-4.231	4.232
CHELPG
AIM
ESP

	x	y	z
x	8.142	-0.000	-0.390
y	-0.000	6.428	0.001
z	-0.390	0.001	7.752

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: B1B95/CEP-31G

States and conformations

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