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	hartrees
Energy at 0K	-287.867295
Energy at 298.15K	-287.877565
HF Energy	-287.867295
Nuclear repulsion energy	248.465644

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3767	3604	39.05
2	A	3628	3470	37.32
3	A	3143	3007	29.96
4	A	3139	3003	2.77
5	A	3130	2994	39.17
6	A	3128	2992	15.19
7	A	3058	2925	15.29
8	A	3055	2923	32.50
9	A	3051	2919	31.41
10	A	1798	1720	322.27
11	A	1629	1558	124.74
12	A	1516	1450	18.98
13	A	1506	1441	10.80
14	A	1494	1429	3.15
15	A	1487	1422	0.26
16	A	1430	1368	72.59
17	A	1417	1356	4.05
18	A	1400	1340	5.27
19	A	1333	1275	0.67
20	A	1292	1236	104.27
21	A	1205	1152	5.04
22	A	1143	1094	6.15
23	A	1133	1084	0.45
24	A	1068	1022	7.31
25	A	982	939	0.36
26	A	937	897	1.73
27	A	929	889	2.38
28	A	782	748	3.94
29	A	764	730	3.25
30	A	621	594	6.24
31	A	588	562	11.14
32	A	485	464	3.14
33	A	331	317	1.17
34	A	286	273	6.85
35	A	242	231	5.75
36	A	231	221	2.56
37	A	206	197	153.76
38	A	191	182	18.36
39	A	12	11	8.20

Atom	x (Å)	y (Å)	z (Å)
C1	-1.354	-1.264	-0.021
H2	-0.845	-2.166	-0.362
H3	-1.414	-1.297	1.066
H4	-2.366	-1.271	-0.427
C5	-1.355	1.263	-0.020
H6	-0.846	2.166	-0.360
H7	-1.415	1.296	1.067
C8	-0.615	0.000	-0.462
H9	-0.537	0.001	-1.552
N10	1.815	0.001	-0.755
H11	2.755	0.000	-0.402
H12	1.664	0.001	-1.744
C13	0.788	0.001	0.132
O14	0.986	-0.001	1.331
H15	-2.367	1.269	-0.426

	C1	H2	H3	H4	C5	H6	H7	C8	H9	N10	H11	H12	C13	O14	H15
C1		1.0904	1.0892	1.0901	2.5272	3.4836	2.7821	1.5292	2.1471	3.4899	4.3161	3.6981	2.4918	2.9828	2.7582
H2	1.0904		1.7655	1.7661	3.4836	4.3314	3.7881	2.1803	2.4906	3.4524	4.2012	3.5911	2.7569	3.3017	3.7578
H3	1.0892	1.7655		1.7709	2.7821	3.7880	2.5932	2.1578	3.0507	3.9273	4.6064	4.3649	2.7208	2.7402	3.1181
H4	1.0901	1.7661	1.7709		2.7582	3.7579	3.1182	2.1636	2.4952	4.3819	5.2763	4.4260	3.4455	3.9917	2.5401
C5	2.5272	3.4836	2.7821	2.7582		1.0904	1.0892	1.5292	2.1471	3.4905	4.3169	3.6985	2.4917	2.9835	1.0901
H6	3.4836	4.3314	3.7880	3.7579	1.0904		1.7655	2.1802	2.4906	3.4535	4.2027	3.5919	2.7568	3.3029	1.7661
H7	2.7821	3.7881	2.5932	3.1182	1.0892	1.7655		2.1578	3.0507	3.9279	4.6072	4.3653	2.7207	2.7410	1.7709
C8	1.5292	2.1803	2.1578	2.1636	1.5292	2.1802	2.1578		1.0927	2.4475	3.3707	2.6147	1.5231	2.4031	2.1636
H9	2.1471	2.4906	3.0507	2.4952	2.1471	2.4906	3.0507	1.0927		2.4833	3.4870	2.2092	2.1424	3.2598	2.4952
N10	3.4899	3.4524	3.9273	4.3819	3.4905	3.4535	3.9279	2.4475	2.4833		1.0041	1.0006	1.3572	2.2441	4.3824
H11	4.3161	4.2012	4.6064	5.2763	4.3169	4.2027	4.6072	3.3707	3.4870	1.0041		1.7294	2.0389	2.4766	5.2770
H12	3.6981	3.5911	4.3649	4.4260	3.6985	3.5919	4.3653	2.6147	2.2092	1.0006	1.7294		2.0705	3.1483	4.4263
C13	2.4918	2.7569	2.7208	3.4455	2.4917	2.7568	2.7207	1.5231	2.1424	1.3572	2.0389	2.0705		1.2147	3.4455
O14	2.9828	3.3017	2.7402	3.9917	2.9835	3.3029	2.7410	2.4031	3.2598	2.2441	2.4766	3.1483	1.2147		3.9922
H15	2.7582	3.7578	3.1181	2.5401	1.0901	1.7661	1.7709	2.1636	2.4952	4.3824	5.2770	4.4263	3.4455	3.9922

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C8	C5	111.445	C1	C8	H9	108.807
C1	C8	C13	109.441	H2	C1	H3	108.197
H2	C1	H4	108.188	H2	C1	C8	111.571
H3	C1	H4	108.697	H3	C1	C8	109.850
H4	C1	C8	110.261	C5	C8	H9	108.809
C5	C8	C13	109.438	H6	C5	H7	108.196
H6	C5	C8	111.571	H6	C5	H15	108.188
H7	C5	C8	109.851	H7	C5	H15	108.698
C8	C5	H15	110.259	C8	C13	N10	116.248
C8	C13	O14	122.340	H9	C8	C13	108.857
N10	C13	O14	121.411	H11	N10	H12	119.235
H11	N10	C13	118.650	H12	N10	C13	122.114

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

using model chemistry: wB97X-D/aug-cc-pVTZ

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	-1.062
2	H	0.249
3	H	0.290
4	H	0.248
5	C	-1.062
6	H	0.249
7	H	0.290
8	C	0.558
9	H	0.270
10	N	-0.301
11	H	0.053
12	H	0.034
13	C	0.845
14	O	-0.908
15	H	0.248

	x	y	z	Total
	0.079	-0.001	-3.703	3.703
CHELPG
AIM
ESP

	x	y	z
x	10.107	0.000	-0.349
y	0.000	8.494	0.000
z	-0.349	0.000	9.158

<r²>	172.214
(<r²>)^1/2	13.123

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

using model chemistry: wB97X-D/aug-cc-pVTZ

States and conformations

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