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	hartrees
Energy at 0K	-286.426352
Energy at 298.15K	-286.436763
HF Energy	-286.426352
Nuclear repulsion energy	249.746802

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3631	3589	42.73
2	A	3492	3452	34.79
3	A	3058	3023	11.99
4	A	3056	3021	0.85
5	A	3055	3020	20.29
6	A	3054	3019	12.36
7	A	2971	2936	13.27
8	A	2970	2935	21.05
9	A	2949	2915	29.38
10	A	1766	1745	259.66
11	A	1543	1525	162.67
12	A	1446	1430	32.21
13	A	1427	1410	14.75
14	A	1415	1399	3.95
15	A	1406	1390	1.96
16	A	1380	1364	63.42
17	A	1341	1326	10.57
18	A	1325	1310	15.88
19	A	1276	1261	0.04
20	A	1245	1231	41.70
21	A	1163	1149	1.29
22	A	1115	1102	0.12
23	A	1097	1085	4.93
24	A	1022	1011	7.91
25	A	954	943	0.45
26	A	923	912	4.34
27	A	896	886	2.90
28	A	762	753	4.81
29	A	755	747	5.01
30	A	604	597	4.50
31	A	597	590	15.19
32	A	467	462	2.37
33	A	341	337	183.57
34	A	323	319	1.10
35	A	287	284	4.55
36	A	246	243	6.91
37	A	242	239	1.60
38	A	209	207	1.13
39	A	29	29	8.36

Atom	x (Å)	y (Å)	z (Å)
C1	-1.332	-1.245	-0.026
H2	-0.818	-2.158	-0.359
H3	-1.382	-1.259	1.072
H4	-2.355	-1.255	-0.428
C5	-1.332	1.245	-0.026
H6	-0.818	2.159	-0.359
H7	-1.382	1.259	1.072
C8	-0.603	-0.000	-0.479
H9	-0.526	-0.000	-1.580
N10	1.804	-0.000	-0.746
H11	2.753	-0.000	-0.382
H12	1.656	-0.000	-1.749
C13	0.776	-0.000	0.137
O14	0.943	-0.000	1.341
H15	-2.355	1.256	-0.428

	C1	H2	H3	H4	C5	H6	H7	C8	H9	N10	H11	H12	C13	O14	H15
C1		1.0996	1.0993	1.0994	2.4908	3.4586	2.7349	1.5125	2.1488	3.4498	4.2850	3.6677	2.4541	2.9314	2.7319
H2	1.0996		1.7821	1.7841	3.4586	4.3170	3.7477	2.1725	2.4972	3.4177	4.1723	3.5657	2.7290	3.2632	3.7447
H3	1.0993	1.7821		1.7886	2.7349	3.7477	2.5179	2.1443	3.0584	3.8778	4.5597	4.3332	2.6676	2.6571	3.0857
H4	1.0994	1.7841	1.7886		2.7319	3.7447	3.0857	2.1559	2.5000	4.3556	5.2599	4.4060	3.4208	3.9473	2.5110
C5	2.4908	3.4586	2.7349	2.7319		1.0996	1.0993	1.5125	2.1488	3.4498	4.2849	3.6676	2.4541	2.9313	1.0994
H6	3.4586	4.3170	3.7477	3.7447	1.0996		1.7821	2.1725	2.4972	3.4177	4.1722	3.5656	2.7289	3.2631	1.7841
H7	2.7349	3.7477	2.5179	3.0857	1.0993	1.7821		2.1443	3.0584	3.8777	4.5597	4.3331	2.6676	2.6570	1.7886
C8	1.5125	2.1725	2.1443	2.1559	1.5125	2.1725	2.1443		1.1039	2.4214	3.3571	2.5920	1.5109	2.3878	2.1560
H9	2.1488	2.4972	3.0584	2.5000	2.1488	2.4972	3.0584	1.1039		2.4741	3.4905	2.1886	2.1553	3.2694	2.5000
N10	3.4498	3.4177	3.8778	4.3556	3.4498	3.4177	3.8777	2.4214	2.4741		1.0166	1.0140	1.3548	2.2574	4.3555
H11	4.2850	4.1723	4.5597	5.2599	4.2849	4.1722	4.5597	3.3571	3.4905	1.0166		1.7528	2.0432	2.4984	5.2598
H12	3.6677	3.5657	4.3332	4.4060	3.6676	3.5656	4.3331	2.5920	2.1886	1.0140	1.7528		2.0818	3.1714	4.4060
C13	2.4541	2.7290	2.6676	3.4208	2.4541	2.7289	2.6676	1.5109	2.1553	1.3548	2.0432	2.0818		1.2149	3.4208
O14	2.9314	3.2632	2.6571	3.9473	2.9313	3.2631	2.6570	2.3878	3.2694	2.2574	2.4984	3.1714	1.2149		3.9473
H15	2.7319	3.7447	3.0857	2.5110	1.0994	1.7841	1.7886	2.1560	2.5000	4.3555	5.2598	4.4060	3.4208	3.9473

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C8	C5	110.850	C1	C8	H9	109.437
C1	C8	C13	108.525	H2	C1	H3	108.277
H2	C1	H4	108.449	H2	C1	C8	111.569
H3	C1	H4	108.875	H3	C1	C8	109.348
H4	C1	C8	110.261	C5	C8	H9	109.437
C5	C8	C13	108.523	H6	C5	H7	108.277
H6	C5	C8	111.569	H6	C5	H15	108.449
H7	C5	C8	109.347	H7	C5	H15	108.875
C8	C5	H15	110.261	C8	C13	N10	115.226
C8	C13	O14	121.947	H9	C8	C13	110.053
N10	C13	O14	122.827	H11	N10	H12	119.353
H11	N10	C13	118.295	H12	N10	C13	122.352

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

using model chemistry: SVWN/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	-0.469
2	H	0.165
3	H	0.196
4	H	0.168
5	C	-0.469
6	H	0.165
7	H	0.196
8	C	-0.357
9	H	0.176
10	N	-0.417
11	H	0.268
12	H	0.265
13	C	0.243
14	O	-0.297
15	H	0.168

	x	y	z	Total
	0.386	0.000	-3.700	3.720
CHELPG
AIM
ESP

	x	y	z
x	10.131	0.000	-0.427
y	0.000	8.103	0.000
z	-0.427	0.000	9.020

<r²>	169.887
(<r²>)^1/2	13.034

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

using model chemistry: SVWN/TZVP

States and conformations

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