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	hartrees
Energy at 0K	-286.091033
Energy at 298.15K	-286.101517
Nuclear repulsion energy	248.713011

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3973	3618	52.10
2	A	3825	3483	54.61
3	A	3267	2975	46.24
4	A	3258	2967	7.89
5	A	3236	2947	66.82
6	A	3232	2943	22.47
7	A	3180	2896	28.62
8	A	3169	2886	44.12
9	A	3168	2885	28.38
10	A	1910	1739	396.69
11	A	1760	1603	131.63
12	A	1615	1471	19.58
13	A	1599	1456	9.37
14	A	1588	1446	1.33
15	A	1584	1442	1.05
16	A	1542	1404	61.18
17	A	1526	1389	10.96
18	A	1509	1374	2.82
19	A	1444	1315	1.28
20	A	1377	1254	140.58
21	A	1288	1173	8.09
22	A	1224	1114	9.47
23	A	1210	1102	0.26
24	A	1148	1046	9.82
25	A	1043	950	0.30
26	A	998	909	1.31
27	A	980	893	0.73
28	A	846	770	8.57
29	A	815	742	0.99
30	A	662	603	11.55
31	A	621	565	13.34
32	A	510	465	4.49
33	A	348	317	1.04
34	A	308	280	6.80
35	A	260	237	4.08
36	A	258	235	0.10
37	A	224	204	0.13
38	A	118	107	208.48
39	A	11	10	8.56

Atom	x (Å)	y (Å)	z (Å)
C1	1.304	1.273	0.288
H2	0.745	2.203	0.178
H3	1.391	1.053	1.351
H4	2.303	1.430	-0.119
C5	1.403	-1.190	-0.310
H6	0.916	-2.005	-0.848
H7	1.487	-1.478	0.736
C8	0.613	0.115	-0.442
H9	0.537	0.370	-1.501
N10	-1.815	0.229	-0.713
H11	-2.747	0.137	-0.375
H12	-1.667	0.539	-1.644
C13	-0.790	-0.069	0.123
O14	-0.981	-0.445	1.248
H15	2.405	-1.065	-0.721

	C1	H2	H3	H4	C5	H6	H7	C8	H9	N10	H11	H12	C13	O14	H15
C1		1.0909	1.0885	1.0904	2.5372	3.4909	2.7939	1.5336	2.1464	3.4385	4.2591	3.6193	2.4921	3.0157	2.7744
H2	1.0909		1.7656	1.7649	3.4913	4.3347	3.7973	2.1824	2.4946	3.3536	4.0950	3.4506	2.7423	3.3376	3.7741
H3	1.0885	1.7656		1.7702	2.7911	3.7960	2.6067	2.1678	3.0546	3.9012	4.5758	4.3109	2.7424	2.8073	3.1313
H4	1.0904	1.7649	1.7702		2.7772	3.7751	3.1391	2.1653	2.4809	4.3310	5.2193	4.3454	3.4451	4.0210	2.5681
C5	2.5372	3.4913	2.7911	2.7772		1.0907	1.0880	1.5315	2.1463	3.5405	4.3573	3.7674	2.5003	2.9434	1.0905
H6	3.4909	4.3347	3.7960	3.7751	1.0907		1.7643	2.1794	2.4922	3.5311	4.2693	3.7113	2.7566	3.2284	1.7654
H7	2.7939	3.7973	2.6067	3.1391	1.0880	1.7643		2.1660	3.0542	3.9905	4.6660	4.4366	2.7473	2.7241	1.7711
C8	1.5336	2.1824	2.1678	2.1653	1.5315	2.1794	2.1660		1.0922	2.4465	3.3610	2.6121	1.5235	2.3900	2.1632
H9	2.1464	2.4946	3.0546	2.4809	2.1463	2.4922	3.0542	1.0922		2.4846	3.4794	2.2145	2.1422	3.2445	2.4816
N10	3.4385	3.3536	3.9012	4.3310	3.5405	3.5311	3.9905	2.4465	2.4846		0.9955	0.9922	1.3565	2.2356	4.4142
H11	4.2591	4.0950	4.5758	5.2193	4.3573	4.2693	4.6660	3.3610	3.4794	0.9955		1.7146	2.0300	2.4679	5.3014
H12	3.6193	3.4506	4.3109	4.3454	3.7674	3.7113	4.4366	2.6121	2.2145	0.9922	1.7146		2.0641	3.1310	4.4723
C13	2.4921	2.7423	2.7424	3.4451	2.5003	2.7566	2.7473	1.5235	2.1422	1.3565	2.0300	2.0641		1.2019	3.4508
O14	3.0157	3.3376	2.8073	4.0210	2.9434	3.2284	2.7241	2.3900	3.2445	2.2356	2.4679	3.1310	1.2019		3.9653
H15	2.7744	3.7741	3.1313	2.5681	1.0905	1.7654	1.7711	2.1632	2.4816	4.4142	5.3014	4.4723	3.4508	3.9653

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C8	C5	111.744	C1	C8	H9	108.492
C1	C8	C13	109.214	H2	C1	H3	108.219
H2	C1	H4	108.025	H2	C1	C8	111.398
H3	C1	H4	108.668	H3	C1	C8	110.374
H4	C1	C8	110.072	C5	C8	H9	108.621
C5	C8	C13	109.861	H6	C5	H7	108.150
H6	C5	C8	111.320	H6	C5	H15	108.065
H7	C5	C8	110.413	H7	C5	H15	108.773
C8	C5	H15	110.040	C8	C13	N10	116.193
C8	C13	O14	122.110	H9	C8	C13	108.853
N10	C13	O14	121.695	H11	N10	H12	119.228
H11	N10	C13	118.531	H12	N10	C13	122.240

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

using model chemistry: HF/aug-cc-pVDZ

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	0.802
2	H	-0.082
3	H	0.009
4	H	-0.063
5	C	0.792
6	H	-0.078
7	H	0.007
8	C	-1.102
9	H	-0.178
10	N	-0.129
11	H	-0.066
12	H	-0.045
13	C	0.971
14	O	-0.781
15	H	-0.058

	x	y	z	Total
	0.122	1.281	-3.671	3.890
CHELPG
AIM
ESP

	x	y	z
x	0.000	0.000	0.000
y	0.000	0.000	0.000
z	0.000	0.000	0.000

<r²>	172.610
(<r²>)^1/2	13.138

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

using model chemistry: HF/aug-cc-pVDZ

States and conformations

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