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	hartrees
Energy at 0K	-287.657063
Energy at 298.15K	-287.667784
Nuclear repulsion energy	246.512634

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3769	3610	27.70
2	A	3624	3471	31.21
3	A	3161	3027	30.00
4	A	3156	3023	3.10
5	A	3142	3009	40.73
6	A	3139	3007	20.33
7	A	3059	2929	15.73
8	A	3056	2926	37.07
9	A	3041	2912	37.58
10	A	1736	1663	250.79
11	A	1673	1602	81.49
12	A	1555	1489	20.83
13	A	1542	1477	15.34
14	A	1536	1471	2.68
15	A	1527	1462	1.96
16	A	1461	1399	48.77
17	A	1437	1377	9.22
18	A	1432	1371	40.72
19	A	1358	1301	1.34
20	A	1327	1271	94.78
21	A	1225	1174	3.88
22	A	1153	1104	11.38
23	A	1145	1096	0.19
24	A	1095	1049	6.55
25	A	1001	959	0.01
26	A	964	923	5.89
27	A	937	897	4.10
28	A	790	757	60.70
29	A	771	738	3.50
30	A	638	611	153.79
31	A	622	596	4.87
32	A	530	508	137.94
33	A	484	464	2.82
34	A	333	319	0.76
35	A	292	280	6.35
36	A	242	232	2.83
37	A	241	231	4.19
38	A	221	211	0.45
39	A	21	20	9.27

Atom	x (Å)	y (Å)	z (Å)
C1	-1.369	-1.254	-0.119
H2	-0.882	-2.136	-0.551
H3	-1.396	-1.378	0.968
H4	-2.397	-1.212	-0.495
C5	-1.348	1.274	0.074
H6	-0.842	2.203	-0.214
H7	-1.382	1.229	1.167
C8	-0.614	0.038	-0.472
H9	-0.541	0.121	-1.567
N10	1.826	0.071	-0.760
H11	2.770	0.042	-0.404
H12	1.683	0.164	-1.751
C13	0.790	-0.018	0.125
O14	0.978	-0.135	1.354
H15	-2.374	1.310	-0.309

	C1	H2	H3	H4	C5	H6	H7	C8	H9	N10	H11	H12	C13	O14	H15
C1		1.0958	1.0946	1.0956	2.5362	3.4983	2.7966	1.5376	2.1616	3.5183	4.3463	3.7407	2.4996	2.9887	2.7607
H2	1.0958		1.7734	1.7759	3.4982	4.3518	3.8109	2.1915	2.4983	3.5000	4.2542	3.6485	2.7815	3.3304	3.7627
H3	1.0946	1.7734		1.7808	2.8000	3.8116	2.6150	2.1658	3.0664	3.9329	4.6098	4.3878	2.7086	2.7075	3.1331
H4	1.0956	1.7759	1.7808		2.7575	3.7624	3.1221	2.1775	2.5240	4.4221	5.3175	4.4858	3.4590	3.9964	2.5284
C5	2.5362	3.4982	2.8000	2.7575		1.0958	1.0947	1.5383	2.1614	3.4957	4.3248	3.7083	2.4985	3.0065	1.0955
H6	3.4983	4.3518	3.8116	3.7624	1.0958		1.7738	2.1922	2.5007	3.4583	4.2127	3.5907	2.7762	3.3521	1.7760
H7	2.7966	3.8109	2.6150	3.1221	1.0947	1.7738		2.1669	3.0669	3.9175	4.5951	4.3639	2.7123	2.7330	1.7803
C8	1.5376	2.1915	2.1658	2.1775	1.5383	2.1922	2.1669		1.1000	2.4574	3.3842	2.6322	1.5262	2.4288	2.1778
H9	2.1616	2.4983	3.0664	2.5240	2.1614	2.5007	3.0669	1.1000		2.5015	3.5095	2.2324	2.1567	3.3018	2.5206
N10	3.5183	3.5000	3.9329	4.4221	3.4957	3.4583	3.9175	2.4574	2.5015		1.0084	1.0058	1.3660	2.2865	4.4023
H11	4.3463	4.2542	4.6098	5.3175	4.3248	4.2127	4.5951	3.3842	3.5095	1.0084		1.7344	2.0505	2.5160	5.2984
H12	3.7407	3.6485	4.3878	4.4858	3.7083	3.5907	4.3639	2.6322	2.2324	1.0058	1.7344		2.0861	3.1977	4.4556
C13	2.4996	2.7815	2.7086	3.4590	2.4985	2.7762	2.7123	1.5262	2.1567	1.3660	2.0505	2.0861		1.2485	3.4583
O14	2.9887	3.3304	2.7075	3.9964	3.0065	3.3521	2.7330	2.4288	3.3018	2.2865	2.5160	3.1977	1.2485		4.0117
H15	2.7607	3.7627	3.1331	2.5284	1.0955	1.7760	1.7803	2.1778	2.5206	4.4023	5.2984	4.4556	3.4583	4.0117

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C8	C5	111.081	C1	C8	H9	108.942
C1	C8	C13	109.338	H2	C1	H3	108.121
H2	C1	H4	108.275	H2	C1	C8	111.544
H3	C1	H4	108.795	H3	C1	C8	109.581
H4	C1	C8	110.450	C5	C8	H9	108.883
C5	C8	C13	109.233	H6	C5	H7	108.145
H6	C5	C8	111.554	H6	C5	H15	108.276
H7	C5	C8	109.618	H7	C5	H15	108.747
C8	C5	H15	110.425	C8	C13	N10	116.235
C8	C13	O14	121.847	H9	C8	C13	109.339
N10	C13	O14	121.918	H11	N10	H12	118.882
H11	N10	C13	118.672	H12	N10	C13	122.446

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

using model chemistry: B3PW91/6-31G

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	-0.465
2	H	0.161
3	H	0.194
4	H	0.158
5	C	-0.465
6	H	0.161
7	H	0.193
8	C	-0.226
9	H	0.143
10	N	-0.774
11	H	0.351
12	H	0.343
13	C	0.558
14	O	-0.490
15	H	0.159

	x	y	z	Total
	0.210	0.382	-3.855	3.880
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>	173.761
(<r²>)^1/2	13.182

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

using model chemistry: B3PW91/6-31G

States and conformations

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