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	hartrees
Energy at 0K	-53.838546
Energy at 298.15K	-53.848669
Nuclear repulsion energy	137.703846

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3775	3614	38.66
2	A	3631	3476	44.47
3	A	3172	3036	46.44
4	A	3169	3034	3.78
5	A	3155	3020	52.42
6	A	3152	3017	20.83
7	A	3079	2947	35.12
8	A	3071	2940	38.55
9	A	3071	2940	27.14
10	A	1809	1732	315.03
11	A	1617	1548	134.27
12	A	1509	1445	21.23
13	A	1497	1433	12.37
14	A	1487	1424	3.25
15	A	1481	1418	0.47
16	A	1417	1357	77.91
17	A	1409	1349	8.31
18	A	1397	1337	6.21
19	A	1318	1262	0.27
20	A	1264	1210	87.81
21	A	1186	1135	3.75
22	A	1136	1087	0.13
23	A	1119	1071	5.20
24	A	1041	996	10.75
25	A	974	932	0.46
26	A	932	892	2.84
27	A	925	885	4.12
28	A	764	731	3.04
29	A	762	729	2.57
30	A	602	577	4.74
31	A	595	570	12.25
32	A	462	442	2.67
33	A	311	297	0.83
34	A	279	267	4.97
35	A	251	241	4.81
36	A	250	240	0.61
37	A	215	206	2.43
38	A	133	128	234.45
39	A	36	34	5.76

Atom	x (Å)	y (Å)	z (Å)
C1	-1.362	-1.268	-0.023
H2	-0.857	-2.186	-0.366
H3	-1.406	-1.293	1.076
H4	-2.392	-1.273	-0.416
C5	-1.362	1.268	-0.024
H6	-0.857	2.186	-0.367
H7	-1.406	1.294	1.075
C8	-0.616	-0.000	-0.485
H9	-0.536	-0.000	-1.585
N10	1.837	-0.000	-0.759
H11	2.783	0.000	-0.394
H12	1.696	-0.000	-1.761
C13	0.790	-0.000	0.137
O14	0.976	0.000	1.355
H15	-2.391	1.274	-0.417

	C1	H2	H3	H4	C5	H6	H7	C8	H9	N10	H11	H12	C13	O14	H15
C1		1.1021	1.1004	1.1019	2.5363	3.5075	2.7878	1.5416	2.1747	3.5190	4.3509	3.7391	2.5028	2.9958	2.7702
H2	1.1021		1.7825	1.7859	3.5075	4.3717	3.8061	2.2022	2.5232	3.4916	4.2466	3.6393	2.7826	3.3320	3.7847
H3	1.1004	1.7825		1.7881	2.7878	3.8061	2.5868	2.1751	3.0839	3.9445	4.6245	4.3985	2.7160	2.7249	3.1283
H4	1.1019	1.7859	1.7881		2.7702	3.7847	3.1283	2.1856	2.5361	4.4295	5.3294	4.4877	3.4710	4.0123	2.5470
C5	2.5363	3.5075	2.7878	2.7702		1.1021	1.1004	1.5416	2.1748	3.5189	4.3505	3.7388	2.5028	2.9955	1.1019
H6	3.5075	4.3717	3.8061	3.7847	1.1021		1.7825	2.2022	2.5233	3.4913	4.2459	3.6387	2.7826	3.3315	1.7859
H7	2.7878	3.8061	2.5868	3.1283	1.1004	1.7825		2.1751	3.0839	3.9443	4.6241	4.3982	2.7160	2.7246	1.7881
C8	1.5416	2.2022	2.1751	2.1856	1.5416	2.2022	2.1751		1.1035	2.4688	3.4011	2.6416	1.5375	2.4332	2.1856
H9	2.1747	2.5232	3.0839	2.5361	2.1748	2.5233	3.0839	1.1035		2.5123	3.5264	2.2386	2.1730	3.3061	2.5361
N10	3.5190	3.4916	3.9445	4.4295	3.5189	3.4913	3.9443	2.4688	2.5123		1.0146	1.0119	1.3783	2.2834	4.4293
H11	4.3509	4.2466	4.6245	5.3294	4.3505	4.2459	4.6241	3.4011	3.5264	1.0146		1.7473	2.0629	2.5153	5.3291
H12	3.7391	3.6393	4.3985	4.4877	3.7388	3.6387	4.3982	2.6416	2.2386	1.0119	1.7473		2.1035	3.1989	4.4875
C13	2.5028	2.7826	2.7160	3.4710	2.5028	2.7826	2.7160	1.5375	2.1730	1.3783	2.0629	2.1035		1.2326	3.4710
O14	2.9958	3.3320	2.7249	4.0123	2.9955	3.3315	2.7246	2.4332	3.3061	2.2834	2.5153	3.1989	1.2326		4.0121
H15	2.7702	3.7847	3.1283	2.5470	1.1019	1.7859	1.7881	2.1856	2.5361	4.4293	5.3291	4.4875	3.4710	4.0121

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C8	C5	110.696	C1	C8	H9	109.494
C1	C8	C13	108.747	H2	C1	H3	108.055
H2	C1	H4	108.251	H2	C1	C8	111.741
H3	C1	H4	108.567	H3	C1	C8	109.700
H4	C1	C8	110.437	C5	C8	H9	109.494
C5	C8	C13	108.748	H6	C5	H7	108.055
H6	C5	C8	111.741	H6	C5	H15	108.251
H7	C5	C8	109.700	H7	C5	H15	108.567
C8	C5	H15	110.437	C8	C13	N10	115.603
C8	C13	O14	122.515	H9	C8	C13	109.641
N10	C13	O14	121.882	H11	N10	H12	119.139
H11	N10	C13	118.315	H12	N10	C13	122.546

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	-0.536
2	H	0.160
3	H	0.176
4	H	0.164
5	C	-0.536
6	H	0.160
7	H	0.176
8	C	0.032
9	H	0.119
10	N	-0.381
11	H	0.335
12	H	0.325
13	C	-0.229
14	O	-0.130
15	H	0.164

	x	y	z	Total
	0.226	-0.000	-3.826	3.833
CHELPG
AIM
ESP

	x	y	z
x	8.459	0.000	-0.371
y	0.000	6.751	0.000
z	-0.371	0.000	7.716

<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-)