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	hartrees
Energy at 0K	-286.340683
Energy at 298.15K	-286.351007
Nuclear repulsion energy	248.906592

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3650	3595	43.46
2	A	3504	3451	33.16
3	A	3073	3027	13.19
4	A	3071	3025	2.23
5	A	3069	3023	22.66
6	A	3069	3022	11.86
7	A	2979	2934	15.97
8	A	2978	2933	26.36
9	A	2956	2912	34.17
10	A	1767	1741	282.72
11	A	1547	1524	176.10
12	A	1452	1430	30.58
13	A	1431	1410	15.24
14	A	1421	1399	3.53
15	A	1412	1391	3.14
16	A	1384	1363	56.82
17	A	1343	1323	13.99
18	A	1328	1308	15.57
19	A	1272	1253	0.06
20	A	1242	1223	44.29
21	A	1158	1141	0.95
22	A	1114	1098	0.06
23	A	1092	1075	5.12
24	A	1017	1002	9.57
25	A	951	936	0.47
26	A	923	909	4.33
27	A	892	879	3.09
28	A	757	746	4.22
29	A	755	744	3.49
30	A	598	589	4.50
31	A	594	585	14.90
32	A	463	456	2.44
33	A	321	316	1.03
34	A	316	312	188.32
35	A	286	281	3.85
36	A	242	238	7.50
37	A	238	234	1.63
38	A	207	204	2.00
39	A	29	28	8.23

Atom	x (Å)	y (Å)	z (Å)
C1	1.337	1.249	-0.027
H2	0.843	2.171	-0.378
H3	1.356	1.272	1.076
H4	2.376	1.249	-0.397
C5	1.337	-1.249	-0.027
H6	0.843	-2.171	-0.377
H7	1.356	-1.271	1.077
C8	0.607	-0.000	-0.483
H9	0.524	-0.000	-1.589
N10	-1.816	-0.000	-0.743
H11	-2.764	-0.000	-0.367
H12	-1.675	-0.000	-1.750
C13	-0.776	-0.000	0.129
O14	-0.944	0.000	1.345
H15	2.376	-1.249	-0.397

	C1	H2	H3	H4	C5	H6	H7	C8	H9	N10	H11	H12	C13	O14	H15
C1		1.1033	1.1041	1.1034	2.4975	3.4731	2.7515	1.5167	2.1589	3.4655	4.2997	3.6879	2.4596	2.9399	2.7306
H2	1.1033		1.7851	1.7892	3.4731	4.3423	3.7722	2.1865	2.5068	3.4519	4.2097	3.5972	2.7556	3.2974	3.7481
H3	1.1041	1.7851		1.7927	2.7515	3.7722	2.5431	2.1473	3.0686	3.8711	4.5465	4.3354	2.6575	2.6415	3.0930
H4	1.1034	1.7892	1.7927		2.7306	3.7481	3.0930	2.1675	2.5324	4.3876	5.2894	4.4503	3.4317	3.9519	2.4980
C5	2.4975	3.4731	2.7515	2.7306		1.1033	1.1041	1.5167	2.1589	3.4655	4.2998	3.6879	2.4596	2.9400	1.1034
H6	3.4731	4.3423	3.7722	3.7481	1.1033		1.7851	2.1865	2.5069	3.4520	4.2097	3.5971	2.7556	3.2975	1.7892
H7	2.7515	3.7722	2.5431	3.0930	1.1041	1.7851		2.1473	3.0686	3.8712	4.5465	4.3353	2.6575	2.6416	1.7927
C8	1.5167	2.1865	2.1473	2.1675	1.5167	2.1865	2.1473		1.1092	2.4364	3.3724	2.6101	1.5127	2.3972	2.1675
H9	2.1589	2.5068	3.0686	2.5324	2.1589	2.5069	3.0686	1.1092		2.4878	3.5072	2.2048	2.1547	3.2807	2.5324
N10	3.4655	3.4519	3.8711	4.3876	3.4655	3.4520	3.8712	2.4364	2.4878		1.0197	1.0172	1.3563	2.2623	4.3877
H11	4.2997	4.2097	4.5465	5.2894	4.2998	4.2097	4.5465	3.3724	3.5072	1.0197		1.7601	2.0480	2.4983	5.2895
H12	3.6879	3.5972	4.3354	4.4503	3.6879	3.5971	4.3353	2.6101	2.2048	1.0172	1.7601		2.0829	3.1803	4.4502
C13	2.4596	2.7556	2.6575	3.4317	2.4596	2.7556	2.6575	1.5127	2.1547	1.3563	2.0480	2.0829		1.2274	3.4317
O14	2.9399	3.2974	2.6415	3.9519	2.9400	3.2975	2.6416	2.3972	3.2807	2.2623	2.4983	3.1803	1.2274		3.9520
H15	2.7306	3.7481	3.0930	2.4980	1.1034	1.7892	1.7927	2.1675	2.5324	4.3877	5.2895	4.4502	3.4317	3.9520

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C8	C5	110.844	C1	C8	H9	109.631
C1	C8	C13	108.569	H2	C1	H3	107.936
H2	C1	H4	108.353	H2	C1	C8	112.173
H3	C1	H4	108.604	H3	C1	C8	109.024
H4	C1	C8	110.652	C5	C8	H9	109.632
C5	C8	C13	108.568	H6	C5	H7	107.936
H6	C5	C8	112.173	H6	C5	H15	108.353
H7	C5	C8	109.024	H7	C5	H15	108.604
C8	C5	H15	110.652	C8	C13	N10	116.142
C8	C13	O14	121.706	H9	C8	C13	109.570
N10	C13	O14	122.152	H11	N10	H12	119.565
H11	N10	C13	118.383	H12	N10	C13	122.052

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

using model chemistry: LSDA/6-31+G**

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	-0.638
2	H	0.187
3	H	0.219
4	H	0.182
5	C	-0.638
6	H	0.187
7	H	0.219
8	C	0.000
9	H	0.144
10	N	-0.515
11	H	0.334
12	H	0.307
13	C	0.307
14	O	-0.477
15	H	0.182

	x	y	z	Total
	-0.292	-0.001	-3.765	3.776
CHELPG
AIM
ESP

	x	y	z
x	10.298	0.000	0.386
y	0.000	8.309	0.000
z	0.386	0.000	9.239

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: LSDA/6-31+G**

States and conformations

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