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	hartrees
Energy at 0K	-287.768423
Energy at 298.15K	-287.778631
Nuclear repulsion energy	248.139244

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3776	3581	35.71
2	A	3641	3453	36.87
3	A	3175	3011	26.76
4	A	3172	3008	2.98
5	A	3155	2992	37.34
6	A	3154	2991	17.66
7	A	3081	2922	14.31
8	A	3078	2919	32.93
9	A	3061	2903	37.16
10	A	1836	1741	266.21
11	A	1655	1569	125.78
12	A	1549	1469	17.41
13	A	1533	1454	11.30
14	A	1525	1446	1.87
15	A	1518	1439	0.79
16	A	1450	1375	65.49
17	A	1437	1363	11.18
18	A	1423	1349	5.43
19	A	1356	1286	1.22
20	A	1307	1240	91.76
21	A	1217	1154	3.26
22	A	1152	1092	5.70
23	A	1147	1088	0.05
24	A	1076	1020	7.04
25	A	993	942	0.29
26	A	945	896	2.84
27	A	939	891	3.62
28	A	786	745	7.83
29	A	772	732	3.66
30	A	620	588	6.18
31	A	607	576	15.35
32	A	479	454	3.13
33	A	327	310	0.92
34	A	292	277	4.92
35	A	246	234	5.77
36	A	244	231	0.58
37	A	219	207	1.51
38	A	130	123	231.91
39	A	26	25	7.88

Atom	x (Å)	y (Å)	z (Å)
C1	1.344	1.266	0.023
H2	0.840	2.183	-0.299
H3	1.380	1.264	1.115
H4	2.369	1.289	-0.361
C5	1.355	-1.256	-0.069
H6	0.861	-2.151	-0.459
H7	1.388	-1.335	1.020
C8	0.612	0.018	-0.472
H9	0.539	0.058	-1.567
N10	-1.818	0.033	-0.752
H11	-2.760	0.022	-0.395
H12	-1.677	0.084	-1.746
C13	-0.787	-0.009	0.135
O14	-0.968	-0.065	1.339
H15	2.381	-1.240	-0.450

	C1	H2	H3	H4	C5	H6	H7	C8	H9	N10	H11	H12	C13	O14	H15
C1		1.0943	1.0930	1.0941	2.5241	3.4847	2.7864	1.5293	2.1530	3.4816	4.3089	3.6953	2.4866	2.9754	2.7533
H2	1.0943		1.7700	1.7722	3.4848	4.3367	3.7966	2.1836	2.4929	3.4485	4.1994	3.5826	2.7641	3.3170	3.7569
H3	1.0930	1.7700		1.7769	2.7849	3.7962	2.6011	2.1591	3.0587	3.9023	4.5780	4.3500	2.6978	2.7071	3.1186
H4	1.0941	1.7722	1.7769		2.7547	3.7571	3.1233	2.1707	2.5134	4.3885	5.2829	4.4429	3.4484	3.9822	2.5306
C5	2.5241	3.4848	2.7849	2.7547		1.0943	1.0930	1.5290	2.1532	3.4924	4.3216	3.7153	2.4873	2.9669	1.0942
H6	3.4847	4.3367	3.7962	3.7571	1.0943		1.7699	2.1831	2.4919	3.4681	4.2232	3.6182	2.7667	3.3062	1.7722
H7	2.7864	3.7966	2.6011	3.1233	1.0930	1.7699		2.1587	3.0586	3.9099	4.5877	4.3657	2.6965	2.6953	1.7772
C8	1.5293	2.1836	2.1591	2.1707	1.5290	2.1831	2.1587		1.0979	2.4464	3.3733	2.6208	1.5260	2.4058	2.1705
H9	2.1530	2.4929	3.0587	2.5134	2.1532	2.4919	3.0586	1.0979		2.4941	3.5016	2.2237	2.1589	3.2765	2.5148
N10	3.4816	3.4485	3.9023	4.3885	3.4924	3.4681	3.9099	2.4464	2.4941		1.0078	1.0051	1.3605	2.2599	4.3978
H11	4.3089	4.1994	4.5780	5.2829	4.3216	4.2232	4.5877	3.3733	3.5016	1.0078		1.7331	2.0428	2.4951	5.2940
H12	3.6953	3.5826	4.3500	4.4429	3.7153	3.6182	4.3657	2.6208	2.2237	1.0051	1.7331		2.0830	3.1696	4.4609
C13	2.4866	2.7641	2.6978	3.4484	2.4873	2.7667	2.6965	1.5260	2.1589	1.3605	2.0428	2.0830		1.2194	3.4488
O14	2.9754	3.3170	2.7071	3.9822	2.9669	3.3062	2.6953	2.4058	3.2765	2.2599	2.4951	3.1696	1.2194		3.9750
H15	2.7533	3.7569	3.1186	2.5306	1.0942	1.7722	1.7772	2.1705	2.5148	4.3978	5.2940	4.4609	3.4488	3.9750

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C8	C5	111.241	C1	C8	H9	108.966
C1	C8	C13	108.951	H2	C1	H3	108.038
H2	C1	H4	108.153	H2	C1	C8	111.590
H3	C1	H4	108.670	H3	C1	C8	109.728
H4	C1	C8	110.574	C5	C8	H9	108.998
C5	C8	C13	109.014	H6	C5	H7	108.030
H6	C5	C8	111.578	H6	C5	H15	108.157
H7	C5	C8	109.714	H7	C5	H15	108.696
C8	C5	H15	110.578	C8	C13	N10	115.770
C8	C13	O14	122.006	H9	C8	C13	109.654
N10	C13	O14	122.224	H11	N10	H12	118.844
H11	N10	C13	118.449	H12	N10	C13	122.703

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

using model chemistry: mPW1PW91/6-31G*

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	-0.515
2	H	0.173
3	H	0.201
4	H	0.171
5	C	-0.515
6	H	0.173
7	H	0.201
8	C	-0.230
9	H	0.150
10	N	-0.804
11	H	0.363
12	H	0.357
13	C	0.631
14	O	-0.525
15	H	0.170

	x	y	z	Total
	-0.309	0.187	-3.562	3.580
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>	171.703
(<r²>)^1/2	13.104

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

using model chemistry: mPW1PW91/6-31G*

States and conformations

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