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	hartrees
Energy at 0K	-286.154346
Energy at 298.15K	-286.164968
Nuclear repulsion energy	249.571540

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3975	3612	52.72
2	A	3834	3484	54.23
3	A	3249	2952	47.86
4	A	3241	2945	2.39
5	A	3217	2923	65.76
6	A	3213	2920	20.76
7	A	3166	2877	20.33
8	A	3159	2870	45.81
9	A	3152	2864	31.01
10	A	1924	1749	397.39
11	A	1769	1607	128.72
12	A	1633	1483	16.90
13	A	1618	1471	9.26
14	A	1609	1462	1.74
15	A	1604	1457	0.88
16	A	1547	1406	69.27
17	A	1541	1400	3.80
18	A	1524	1384	2.02
19	A	1455	1322	0.66
20	A	1382	1256	154.29
21	A	1295	1176	9.08
22	A	1232	1120	9.51
23	A	1209	1098	0.04
24	A	1154	1048	11.43
25	A	1044	948	0.29
26	A	1007	915	1.35
27	A	976	887	0.84
28	A	853	775	9.73
29	A	813	739	1.16
30	A	668	607	11.34
31	A	621	565	12.52
32	A	511	464	4.14
33	A	345	314	1.17
34	A	307	279	6.79
35	A	260	236	3.75
36	A	259	236	0.16
37	A	227	206	0.74
38	A	186	169	207.18
39	A	24	21	8.67

Atom	x (Å)	y (Å)	z (Å)
C1	-1.351	-1.266	-0.021
H2	-0.832	-2.160	-0.346
H3	-1.436	-1.299	1.056
H4	-2.347	-1.281	-0.449
C5	-1.351	1.266	-0.021
H6	-0.832	2.160	-0.346
H7	-1.436	1.299	1.056
C8	-0.610	0.000	-0.458
H9	-0.533	0.000	-1.541
N10	1.813	-0.000	-0.745
H11	2.741	0.000	-0.396
H12	1.668	0.000	-1.723
C13	0.790	-0.000	0.138
O14	0.975	-0.000	1.317
H15	-2.346	1.281	-0.449

	C1	H2	H3	H4	C5	H6	H7	C8	H9	N10	H11	H12	C13	O14	H15
C1		1.0842	1.0815	1.0836	2.5312	3.4803	2.7830	1.5301	2.1404	3.4837	4.2994	3.6892	2.4918	2.9670	2.7677
H2	1.0842		1.7534	1.7541	3.4803	4.3209	3.7814	2.1747	2.4871	3.4386	4.1758	3.5797	2.7445	3.2711	3.7615
H3	1.0815	1.7534		1.7591	2.7830	3.7814	2.5977	2.1595	3.0416	3.9359	4.6092	4.3643	2.7362	2.7514	3.1226
H4	1.0836	1.7541	1.7591		2.7677	3.7615	3.1226	2.1577	2.4747	4.3624	5.2465	4.4023	3.4382	3.9740	2.5624
C5	2.5312	3.4803	2.7830	2.7677		1.0842	1.0815	1.5301	2.1404	3.4836	4.2992	3.6890	2.4918	2.9669	1.0836
H6	3.4803	4.3209	3.7814	3.7615	1.0842		1.7534	2.1747	2.4871	3.4385	4.1755	3.5792	2.7445	3.2710	1.7541
H7	2.7830	3.7814	2.5977	3.1226	1.0815	1.7534		2.1595	3.0416	3.9359	4.6090	4.3641	2.7362	2.7513	1.7591
C8	1.5301	2.1747	2.1595	2.1577	1.5301	2.1747	2.1595		1.0858	2.4402	3.3517	2.6055	1.5216	2.3801	2.1577
H9	2.1404	2.4871	3.0416	2.4747	2.1404	2.4871	3.0416	1.0858		2.4772	3.4684	2.2083	2.1373	3.2317	2.4747
N10	3.4837	3.4386	3.9359	4.3624	3.4836	3.4385	3.9359	2.4402	2.4772		0.9915	0.9880	1.3515	2.2260	4.3624
H11	4.2994	4.1758	4.6092	5.2465	4.2992	4.1755	4.6090	3.3517	3.4684	0.9915		1.7064	2.0226	2.4599	5.2463
H12	3.6892	3.5797	4.3643	4.4023	3.6890	3.5792	4.3641	2.6055	2.2083	0.9880	1.7064		2.0571	3.1176	4.4021
C13	2.4918	2.7445	2.7362	3.4382	2.4918	2.7445	2.7362	1.5216	2.1373	1.3515	2.0226	2.0571		1.1938	3.4382
O14	2.9670	3.2711	2.7514	3.9740	2.9669	3.2710	2.7513	2.3801	3.2317	2.2260	2.4599	3.1176	1.1938		3.9740
H15	2.7677	3.7615	3.1226	2.5624	1.0836	1.7541	1.7591	2.1577	2.4747	4.3624	5.2463	4.4021	3.4382	3.9740

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C8	C5	111.612	C1	C8	H9	108.625
C1	C8	C13	109.482	H2	C1	H3	108.119
H2	C1	H4	108.025	H2	C1	C8	111.442
H3	C1	H4	108.671	H3	C1	C8	110.381
H4	C1	C8	110.116	C5	C8	H9	108.625
C5	C8	C13	109.482	H6	C5	H7	108.118
H6	C5	C8	111.442	H6	C5	H15	108.025
H7	C5	C8	110.381	H7	C5	H15	108.671
C8	C5	H15	110.116	C8	C13	N10	116.155
C8	C13	O14	121.987	H9	C8	C13	108.967
N10	C13	O14	121.858	H11	N10	H12	119.089
H11	N10	C13	118.564	H12	N10	C13	122.347

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

using model chemistry: HF/6-311+G(3df,2p)

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	-0.440
2	H	0.128
3	H	0.156
4	H	0.128
5	C	-0.440
6	H	0.128
7	H	0.156
8	C	-0.150
9	H	0.079
10	N	-0.884
11	H	0.154
12	H	0.184
13	C	1.673
14	O	-1.000
15	H	0.128

	x	y	z	Total
	-0.099	0.001	-3.855	3.857
CHELPG
AIM
ESP

	x	y	z
x	9.012	0.000	-0.229
y	0.000	7.824	0.000
z	-0.229	0.000	8.270

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: HF/6-311+G(3df,2p)

States and conformations

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