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	hartrees
Energy at 0K	-287.494492
Energy at 298.15K	-287.504491
Nuclear repulsion energy	246.064251

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3625	3604	23.36
2	A	3476	3456	16.65
3	A	3069	3051	15.22
4	A	3061	3043	10.38
5	A	3057	3039	25.76
6	A	3052	3034	23.38
7	A	2975	2958	21.30
8	A	2969	2952	27.84
9	A	2949	2932	36.65
10	A	1740	1730	225.20
11	A	1527	1518	111.91
12	A	1439	1430	15.15
13	A	1420	1412	9.95
14	A	1412	1404	1.12
15	A	1402	1394	0.66
16	A	1355	1347	52.27
17	A	1335	1327	4.62
18	A	1320	1313	7.37
19	A	1278	1271	7.02
20	A	1228	1221	57.97
21	A	1149	1142	2.10
22	A	1100	1094	0.41
23	A	1080	1074	4.83
24	A	1016	1010	4.14
25	A	944	939	0.36
26	A	901	896	3.89
27	A	894	888	1.81
28	A	746	742	2.23
29	A	736	732	6.05
30	A	591	588	6.76
31	A	582	578	9.30
32	A	457	455	2.71
33	A	319	317	0.53
34	A	288	286	3.47
35	A	239	237	5.74
36	A	230	228	1.76
37	A	210	209	0.95
38	A	127	127	157.58
39	A	17	17	7.36

Atom	x (Å)	y (Å)	z (Å)
C1	-1.467	-1.061	-0.507
H2	-1.073	-1.761	-1.271
H3	-1.446	-1.583	0.471
H4	-2.519	-0.824	-0.765
C5	-1.243	1.237	0.548
H6	-0.650	2.174	0.591
H7	-1.279	0.811	1.571
C8	-0.622	0.215	-0.422
H9	-0.549	0.677	-1.432
N10	1.822	0.424	-0.631
H11	2.772	0.301	-0.278
H12	1.659	1.094	-1.381
C13	0.790	-0.136	0.080
O14	0.982	-0.860	1.059
H15	-2.276	1.496	0.240

	C1	H2	H3	H4	C5	H6	H7	C8	H9	N10	H11	H12	C13	O14	H15
C1		1.1087	1.1081	1.1086	2.5391	3.5129	2.8033	1.5338	2.1730	3.6115	4.4592	3.8963	2.5095	2.9143	2.7847
H2	1.1087		1.7899	1.7963	3.5112	4.3739	3.8386	2.1982	2.4995	3.6833	4.4750	3.9530	2.8174	3.2349	3.7873
H3	1.1081	1.7899		1.8040	2.8281	3.8418	2.6395	2.1699	3.0873	3.9899	4.6799	4.4977	2.6914	2.6004	3.1975
H4	1.1086	1.7963	1.8040		2.7569	3.7837	3.1089	2.1903	2.5648	4.5188	5.4315	4.6378	3.4840	3.9479	2.5402
C5	2.5391	3.5112	2.8281	2.7569		1.1092	1.1089	1.5396	2.1716	3.3829	4.2046	3.4870	2.4976	3.0997	1.1089
H6	3.5129	4.3739	3.8418	3.7837	1.1092		1.7930	2.2050	2.5184	3.2661	3.9971	3.2226	2.7701	3.4770	1.7955
H7	2.8033	3.8386	2.6395	3.1089	1.1089	1.7930		2.1814	3.0935	3.8231	4.4825	4.1743	2.7205	2.8576	1.7989
C8	1.5338	2.1982	2.1699	2.1903	1.5396	2.2050	2.1814		1.1132	2.4616	3.3981	2.6252	1.5394	2.4336	2.1943
H9	2.1730	2.4995	3.0873	2.5648	2.1716	2.5184	3.0935	1.1132		2.5158	3.5365	2.2475	2.1782	3.3040	2.5391
N10	3.6115	3.6833	3.9899	4.5188	3.3829	3.2661	3.8231	2.4616	2.5158		1.0212	1.0185	1.3730	2.2831	4.3244
H11	4.4592	4.4750	4.6799	5.4315	4.2046	3.9971	4.4825	3.3981	3.5365	1.0212		1.7563	2.0612	2.5185	5.2134
H12	3.8963	3.9530	4.4977	4.6378	3.4870	3.2226	4.1743	2.6252	2.2475	1.0185	1.7563		2.0983	3.1985	4.2741
C13	2.5095	2.8174	2.6914	3.4840	2.4976	2.7701	2.7205	1.5394	2.1782	1.3730	2.0612	2.0983		1.2324	3.4774
O14	2.9143	3.2349	2.6004	3.9479	3.0997	3.4770	2.8576	2.4336	3.3040	2.2831	2.5185	3.1985	1.2324		4.1034
H15	2.7847	3.7873	3.1975	2.5402	1.1089	1.7955	1.7989	2.1943	2.5391	4.3244	5.2134	4.2741	3.4774	4.1034

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C8	C5	111.407	C1	C8	H9	109.322
C1	C8	C13	109.488	H2	C1	H3	107.691
H2	C1	H4	108.216	H2	C1	C8	111.567
H3	C1	H4	108.948	H3	C1	C8	109.380
H4	C1	C8	110.947	C5	C8	H9	108.824
C5	C8	C13	108.422	H6	C5	H7	107.875
H6	C5	C8	111.674	H6	C5	H15	108.088
H7	C5	C8	109.834	H7	C5	H15	108.413
C8	C5	H15	110.846	C8	C13	N10	115.272
C8	C13	O14	122.416	H9	C8	C13	109.348
N10	C13	O14	122.309	H11	N10	H12	118.877
H11	N10	C13	118.102	H12	N10	C13	121.965

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

using model chemistry: PBEPBE/cc-pVDZ

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	0.001
2	H	0.028
3	H	0.047
4	H	0.020
5	C	-0.003
6	H	0.023
7	H	0.046
8	C	-0.164
9	H	-0.011
10	N	-0.067
11	H	0.097
12	H	0.092
13	C	0.103
14	O	-0.241
15	H	0.029

	x	y	z	Total
	0.457	2.271	-2.515	3.419
CHELPG
AIM
ESP

	x	y	z
x	9.439	0.323	-0.299
y	0.323	7.821	-0.596
z	-0.299	-0.596	7.654

<r²>	174.289
(<r²>)^1/2	13.202

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

using model chemistry: PBEPBE/cc-pVDZ

States and conformations

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