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	hartrees
Energy at 0K	-287.859944
Energy at 298.15K	-287.870333
HF Energy	-287.859944
Nuclear repulsion energy	248.258030

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3773	3603	40.99
2	A	3634	3470	41.42
3	A	3151	3009	30.69
4	A	3147	3005	2.55
5	A	3137	2996	40.00
6	A	3135	2994	16.17
7	A	3063	2925	14.58
8	A	3060	2922	32.44
9	A	3057	2919	31.57
10	A	1808	1727	316.50
11	A	1634	1560	127.73
12	A	1520	1451	21.45
13	A	1510	1442	11.91
14	A	1498	1430	3.79
15	A	1490	1423	0.17
16	A	1434	1369	72.90
17	A	1424	1360	4.51
18	A	1406	1343	6.51
19	A	1339	1278	0.57
20	A	1296	1237	103.63
21	A	1208	1153	4.79
22	A	1148	1096	5.65
23	A	1137	1086	0.41
24	A	1072	1024	7.57
25	A	985	940	0.33
26	A	944	901	1.89
27	A	931	889	2.41
28	A	782	747	5.15
29	A	765	731	3.27
30	A	626	598	5.69
31	A	592	565	14.18
32	A	488	466	2.88
33	A	333	318	1.14
34	A	290	277	6.55
35	A	254	242	106.59
36	A	240	229	3.28
37	A	236	225	92.76
38	A	200	191	3.90
39	A	23	22	8.63

Atom	x (Å)	y (Å)	z (Å)
C1	-1.355	-1.265	-0.021
H2	-0.844	-2.168	-0.361
H3	-1.416	-1.298	1.067
H4	-2.368	-1.273	-0.428
C5	-1.357	1.265	-0.020
H6	-0.846	2.168	-0.359
H7	-1.418	1.297	1.068
C8	-0.616	0.000	-0.461
H9	-0.539	0.001	-1.553
N10	1.816	0.001	-0.756
H11	2.757	0.000	-0.404
H12	1.664	0.001	-1.746
C13	0.789	0.001	0.133
O14	0.987	-0.001	1.332
H15	-2.369	1.272	-0.427

	C1	H2	H3	H4	C5	H6	H7	C8	H9	N10	H11	H12	C13	O14	H15
C1		1.0918	1.0906	1.0915	2.5298	3.4873	2.7848	1.5305	2.1486	3.4926	4.3201	3.7011	2.4948	2.9862	2.7623
H2	1.0918		1.7676	1.7683	3.4873	4.3360	3.7918	2.1825	2.4933	3.4544	4.2040	3.5938	2.7593	3.3041	3.7634
H3	1.0906	1.7676		1.7729	2.7848	3.7918	2.5953	2.1598	3.0535	3.9318	4.6123	4.3700	2.7248	2.7446	3.1223
H4	1.0915	1.7683	1.7729		2.7623	3.7635	3.1224	2.1664	2.4968	4.3855	5.2812	4.4293	3.4501	3.9970	2.5453
C5	2.5298	3.4873	2.7848	2.7623		1.0918	1.0905	1.5305	2.1486	3.4932	4.3210	3.7016	2.4947	2.9869	1.0915
H6	3.4873	4.3360	3.7918	3.7635	1.0918		1.7676	2.1825	2.4933	3.4555	4.2056	3.5946	2.7592	3.3053	1.7683
H7	2.7848	3.7918	2.5953	3.1224	1.0905	1.7676		2.1598	3.0535	3.9324	4.6131	4.3704	2.7247	2.7454	1.7729
C8	1.5305	2.1825	2.1598	2.1664	1.5305	2.1825	2.1598		1.0942	2.4491	3.3735	2.6170	1.5250	2.4051	2.1664
H9	2.1486	2.4933	3.0535	2.4968	2.1486	2.4933	3.0535	1.0942		2.4854	3.4904	2.2112	2.1456	3.2632	2.4968
N10	3.4926	3.4544	3.9318	4.3855	3.4932	3.4555	3.9324	2.4491	2.4854		1.0053	1.0019	1.3582	2.2460	4.3860
H11	4.3201	4.2040	4.6123	5.2812	4.3210	4.2056	4.6131	3.3735	3.4904	1.0053		1.7312	2.0405	2.4791	5.2819
H12	3.7011	3.5938	4.3700	4.4293	3.7016	3.5946	4.3704	2.6170	2.2112	1.0019	1.7312		2.0732	3.1516	4.4297
C13	2.4948	2.7593	2.7248	3.4501	2.4947	2.7592	2.7247	1.5250	2.1456	1.3582	2.0405	2.0732		1.2151	3.4501
O14	2.9862	3.3041	2.7446	3.9970	2.9869	3.3053	2.7454	2.4051	3.2632	2.2460	2.4791	3.1516	1.2151		3.9975
H15	2.7623	3.7634	3.1223	2.5453	1.0915	1.7683	1.7729	2.1664	2.4968	4.3860	5.2819	4.4297	3.4501	3.9975

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C8	C5	111.472	C1	C8	H9	108.749
C1	C8	C13	109.467	H2	C1	H3	108.179
H2	C1	H4	108.179	H2	C1	C8	111.570
H3	C1	H4	108.684	H3	C1	C8	109.843
H4	C1	C8	110.308	C5	C8	H9	108.751
C5	C8	C13	109.464	H6	C5	H7	108.179
H6	C5	C8	111.570	H6	C5	H15	108.179
H7	C5	C8	109.844	H7	C5	H15	108.685
C8	C5	H15	110.306	C8	C13	N10	116.184
C8	C13	O14	122.337	H9	C8	C13	108.893
N10	C13	O14	121.478	H11	N10	H12	119.189
H11	N10	C13	118.628	H12	N10	C13	122.183

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

using model chemistry: wB97X-D/TZVP

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	-0.384
2	H	0.122
3	H	0.152
4	H	0.126
5	C	-0.384
6	H	0.122
7	H	0.152
8	C	-0.133
9	H	0.116
10	N	-0.405
11	H	0.259
12	H	0.252
13	C	0.238
14	O	-0.357
15	H	0.126

	x	y	z
x	9.309	-0.000	-0.336
y	-0.000	7.662	0.001
z	-0.336	0.001	8.570

<r²>	172.409
(<r²>)^1/2	13.130

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

using model chemistry: wB97X-D/TZVP

States and conformations

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