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	hartrees
Energy at 0K	-287.753447
Energy at 298.15K	-287.763565
HF Energy	-287.753447
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3780	3585	37.29
2	A	3647	3459	40.71
3	A	3172	3009	30.63
4	A	3169	3005	2.88
5	A	3154	2992	40.34
6	A	3152	2990	18.16
7	A	3079	2920	13.73
8	A	3076	2918	35.05
9	A	3065	2907	36.69
10	A	1846	1751	270.31
11	A	1658	1573	133.29
12	A	1547	1467	18.37
13	A	1535	1456	10.77
14	A	1524	1445	2.52
15	A	1519	1440	0.32
16	A	1453	1378	68.57
17	A	1445	1370	7.48
18	A	1428	1355	5.38
19	A	1354	1285	1.07
20	A	1311	1243	95.12
21	A	1219	1156	3.50
22	A	1155	1096	5.44
23	A	1146	1087	0.01
24	A	1079	1023	6.85
25	A	992	941	0.39
26	A	949	900	2.66
27	A	938	890	3.11
28	A	784	744	8.56
29	A	771	731	3.46
30	A	623	591	6.22
31	A	598	568	16.30
32	A	487	462	3.41
33	A	333	316	0.96
34	A	293	277	6.54
35	A	242	230	0.48
36	A	239	226	3.99
37	A	201	191	1.14
38	A	101	96	234.55
39	A	19	18	10.13

Atom	x (Å)	y (Å)	z (Å)
C1	-1.355	-1.267	-0.023
H2	-0.847	-2.172	-0.372
H3	-1.402	-1.302	1.069
H4	-2.376	-1.274	-0.419
C5	-1.357	1.266	-0.021
H6	-0.850	2.172	-0.369
H7	-1.403	1.300	1.071
C8	-0.615	0.000	-0.469
H9	-0.543	0.001	-1.564
N10	1.822	0.001	-0.754
H11	2.765	0.000	-0.396
H12	1.681	0.002	-1.750
C13	0.789	0.001	0.133
O14	0.978	-0.001	1.338
H15	-2.378	1.273	-0.417

	C1	H2	H3	H4	C5	H6	H7	C8	H9	N10	H11	H12	C13	O14	H15
C1		1.0951	1.0938	1.0950	2.5328	3.4932	2.7906	1.5336	2.1547	3.4983	4.3266	3.7160	2.4959	2.9834	2.7656
H2	1.0951		1.7722	1.7738	3.4932	4.3443	3.8008	2.1869	2.4973	3.4633	4.2152	3.6076	2.7667	3.3123	3.7695
H3	1.0938	1.7722		1.7790	2.7906	3.8008	2.6023	2.1634	3.0612	3.9263	4.6044	4.3759	2.7154	2.7256	3.1291
H4	1.0950	1.7738	1.7790		2.7657	3.7695	3.1292	2.1743	2.5097	4.4006	5.2967	4.4563	3.4568	3.9950	2.5465
C5	2.5328	3.4932	2.7906	2.7657		1.0951	1.0938	1.5336	2.1547	3.4989	4.3275	3.7164	2.4959	2.9842	1.0950
H6	3.4932	4.3443	3.8008	3.7695	1.0951		1.7722	2.1868	2.4973	3.4644	4.2168	3.6084	2.7666	3.3137	1.7738
H7	2.7906	3.8008	2.6023	3.1292	1.0938	1.7722		2.1634	3.0612	3.9269	4.6053	4.3763	2.7153	2.7266	1.7790
C8	1.5336	2.1869	2.1634	2.1743	1.5336	2.1868	2.1634		1.0980	2.4541	3.3807	2.6292	1.5279	2.4092	2.1743
H9	2.1547	2.4973	3.0612	2.5097	2.1547	2.4973	3.0612	1.0980		2.5001	3.5082	2.2314	2.1579	3.2771	2.5097
N10	3.4983	3.4633	3.9263	4.4006	3.4989	3.4644	3.9269	2.4541	2.5001		1.0086	1.0057	1.3620	2.2565	4.4011
H11	4.3266	4.2152	4.6044	5.2967	4.3275	4.2168	4.6053	3.3807	3.5082	1.0086		1.7350	2.0451	2.4896	5.2974
H12	3.7160	3.6076	4.3759	4.4563	3.7164	3.6084	4.3763	2.6292	2.2314	1.0057	1.7350		2.0836	3.1673	4.4566
C13	2.4959	2.7667	2.7154	3.4568	2.4959	2.7666	2.7153	1.5279	2.1579	1.3620	2.0451	2.0836		1.2199	3.4567
O14	2.9834	3.3123	2.7256	3.9950	2.9842	3.3137	2.7266	2.4092	3.2771	2.2565	2.4896	3.1673	1.2199		3.9956
H15	2.7656	3.7695	3.1291	2.5465	1.0950	1.7738	1.7790	2.1743	2.5097	4.4011	5.2974	4.4566	3.4567	3.9956

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C8	C5	111.335	C1	C8	H9	108.800
C1	C8	C13	109.226	H2	C1	H3	108.123
H2	C1	H4	108.173	H2	C1	C8	111.502
H3	C1	H4	108.733	H3	C1	C8	109.721
H4	C1	C8	110.508	C5	C8	H9	108.801
C5	C8	C13	109.222	H6	C5	H7	108.123
H6	C5	C8	111.502	H6	C5	H15	108.173
H7	C5	C8	109.722	H7	C5	H15	108.734
C8	C5	H15	110.506	C8	C13	N10	116.129
C8	C13	O14	122.114	H9	C8	C13	109.433
N10	C13	O14	121.756	H11	N10	H12	118.935
H11	N10	C13	118.484	H12	N10	C13	122.581

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

using model chemistry: wB97X-D/6-31G*

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	-0.496
2	H	0.167
3	H	0.193
4	H	0.163
5	C	-0.496
6	H	0.167
7	H	0.193
8	C	-0.207
9	H	0.138
10	N	-0.800
11	H	0.363
12	H	0.356
13	C	0.619
14	O	-0.524
15	H	0.163

	x	y	z	Total
	0.278	0.001	-3.597	3.608
CHELPG
AIM
ESP

	x	y	z
x	8.248	0.000	-0.294
y	0.000	6.357	0.000
z	-0.294	0.000	7.612

<r²>	172.277
(<r²>)^1/2	13.125

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

using model chemistry: wB97X-D/6-31G*

States and conformations

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