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	hartrees
Energy at 0K	-286.161156
Energy at 298.15K	-286.171759
HF Energy	-286.161156
Nuclear repulsion energy	249.503370

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3967	3588	51.93
2	A	3824	3459	54.17
3	A	3249	2939	48.94
4	A	3242	2932	2.37
5	A	3218	2911	65.80
6	A	3214	2907	20.78
7	A	3168	2866	21.91
8	A	3160	2859	45.93
9	A	3155	2854	29.75
10	A	1919	1736	397.41
11	A	1769	1601	126.09
12	A	1632	1476	16.47
13	A	1618	1464	8.98
14	A	1609	1455	1.61
15	A	1603	1450	0.83
16	A	1547	1399	67.89
17	A	1541	1394	4.29
18	A	1524	1378	1.96
19	A	1457	1318	0.63
20	A	1383	1251	157.12
21	A	1296	1173	9.28
22	A	1233	1115	9.91
23	A	1209	1094	0.05
24	A	1155	1045	11.88
25	A	1045	945	0.28
26	A	1009	913	1.32
27	A	976	883	0.83
28	A	852	771	9.59
29	A	813	735	1.14
30	A	667	603	11.21
31	A	622	563	12.20
32	A	511	463	4.20
33	A	345	312	1.17
34	A	307	278	6.87
35	A	259	235	3.61
36	A	259	234	0.13
37	A	226	204	0.86
38	A	188	170	207.76
39	A	24	22	8.34

Atom	x (Å)	y (Å)	z (Å)
C1	-1.352	-1.266	-0.021
H2	-0.833	-2.160	-0.346
H3	-1.438	-1.300	1.057
H4	-2.347	-1.281	-0.449
C5	-1.352	1.266	-0.021
H6	-0.833	2.160	-0.346
H7	-1.438	1.300	1.057
C8	-0.611	-0.000	-0.457
H9	-0.534	-0.000	-1.540
N10	1.812	-0.000	-0.747
H11	2.740	0.000	-0.399
H12	1.665	0.000	-1.724
C13	0.790	0.000	0.137
O14	0.978	0.000	1.318
H15	-2.347	1.281	-0.449

	C1	H2	H3	H4	C5	H6	H7	C8	H9	N10	H11	H12	C13	O14	H15
C1		1.0840	1.0815	1.0835	2.5313	3.4801	2.7837	1.5298	2.1393	3.4842	4.2998	3.6880	2.4924	2.9699	2.7675
H2	1.0840		1.7533	1.7540	3.4801	4.3202	3.7820	2.1743	2.4859	3.4384	4.1755	3.5781	2.7444	3.2729	3.7610
H3	1.0815	1.7533		1.7588	2.7837	3.7820	2.5993	2.1594	3.0407	3.9376	4.6111	4.3641	2.7377	2.7553	3.1229
H4	1.0835	1.7540	1.7588		2.7675	3.7610	3.1229	2.1573	2.4733	4.3623	5.2463	4.4003	3.4384	3.9769	2.5619
C5	2.5313	3.4801	2.7837	2.7675		1.0840	1.0815	1.5298	2.1393	3.4842	4.2997	3.6879	2.4924	2.9699	1.0835
H6	3.4801	4.3202	3.7820	3.7610	1.0840		1.7533	2.1743	2.4859	3.4385	4.1754	3.5779	2.7444	3.2729	1.7540
H7	2.7837	3.7820	2.5993	3.1229	1.0815	1.7533		2.1594	3.0407	3.9376	4.6110	4.3640	2.7377	2.7553	1.7588
C8	1.5298	2.1743	2.1594	2.1573	1.5298	2.1743	2.1594		1.0853	2.4409	3.3520	2.6049	1.5217	2.3822	2.1573
H9	2.1393	2.4859	3.0407	2.4733	2.1393	2.4859	3.0407	1.0853		2.4766	3.4674	2.2068	2.1364	3.2326	2.4733
N10	3.4842	3.4384	3.9376	4.3623	3.4842	3.4385	3.9376	2.4409	2.4766		0.9912	0.9876	1.3520	2.2270	4.3623
H11	4.2998	4.1755	4.6111	5.2463	4.2997	4.1754	4.6110	3.3520	3.4674	0.9912		1.7064	2.0229	2.4600	5.2463
H12	3.6880	3.5781	4.3641	4.4003	3.6879	3.5779	4.3640	2.6049	2.2068	0.9876	1.7064		2.0565	3.1179	4.4002
C13	2.4924	2.7444	2.7377	3.4384	2.4924	2.7444	2.7377	1.5217	2.1364	1.3520	2.0229	2.0565		1.1953	3.4384
O14	2.9699	3.2729	2.7553	3.9769	2.9699	3.2729	2.7553	2.3822	3.2326	2.2270	2.4600	3.1179	1.1953		3.9769
H15	2.7675	3.7610	3.1229	2.5619	1.0835	1.7540	1.7588	2.1573	2.4733	4.3623	5.2463	4.4002	3.4384	3.9769

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C8	C5	111.654	C1	C8	H9	108.588
C1	C8	C13	109.525	H2	C1	H3	108.123
H2	C1	H4	108.039	H2	C1	C8	111.436
H3	C1	H4	108.656	H3	C1	C8	110.397
H4	C1	C8	110.103	C5	C8	H9	108.588
C5	C8	C13	109.525	H6	C5	H7	108.123
H6	C5	C8	111.436	H6	C5	H15	108.039
H7	C5	C8	110.397	H7	C5	H15	108.656
C8	C5	H15	110.103	C8	C13	N10	116.160
C8	C13	O14	122.045	H9	C8	C13	108.911
N10	C13	O14	121.795	H11	N10	H12	119.164
H11	N10	C13	118.564	H12	N10	C13	122.272

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

using model chemistry: HF/daug-cc-pVTZ

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	-1.608
2	H	0.390
3	H	0.401
4	H	0.362
5	C	-1.608
6	H	0.390
7	H	0.401
8	C	1.221
9	H	0.043
10	N	-0.886
11	H	-0.068
12	H	0.309
13	C	1.665
14	O	-1.374
15	H	0.362

	x	y	z	Total
	-0.111	0.001	-3.851	3.853
CHELPG
AIM
ESP

	x	y	z
x	9.116	0.000	-0.242
y	0.000	7.914	0.000
z	-0.242	0.000	8.383

<r²>	171.696
(<r²>)^1/2	13.103

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

using model chemistry: HF/daug-cc-pVTZ

States and conformations

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