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	hartrees
Energy at 0K	-287.522620
Energy at 298.15K
HF Energy	-287.230142
Nuclear repulsion energy	247.556475

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3756	3564	34.40
2	A	3621	3435	40.19
3	A	3177	3014	28.88
4	A	3173	3010	2.95
5	A	3155	2993	40.33
6	A	3153	2991	18.30
7	A	3085	2926	13.43
8	A	3082	2924	32.20
9	A	3061	2904	35.86
10	A	1798	1705	243.63
11	A	1655	1570	108.06
12	A	1564	1484	12.68
13	A	1551	1472	9.84
14	A	1543	1464	1.41
15	A	1536	1458	0.64
16	A	1462	1387	28.18
17	A	1446	1371	35.02
18	A	1439	1366	3.50
19	A	1371	1301	1.82
20	A	1311	1244	106.42
21	A	1227	1164	4.02
22	A	1155	1096	6.11
23	A	1150	1091	0.02
24	A	1078	1022	5.47
25	A	998	947	0.21
26	A	955	906	2.07
27	A	937	889	2.83
28	A	779	739	6.51
29	A	770	731	3.07
30	A	619	587	6.04
31	A	608	576	14.95
32	A	480	455	3.54
33	A	330	313	0.79
34	A	296	281	5.02
35	A	250	237	5.59
36	A	247	234	0.05
37	A	220	209	0.26
38	A	32	30	13.40
39	A	96i	91i	228.59

Atom	x (Å)	y (Å)	z (Å)
C1	-1.353	-1.265	-0.025
H2	-0.840	-2.169	-0.366
H3	-1.406	-1.295	1.066
H4	-2.370	-1.276	-0.428
C5	-1.353	1.265	-0.025
H6	-0.840	2.169	-0.366
H7	-1.406	1.295	1.066
C8	-0.612	0.000	-0.473
H9	-0.542	0.000	-1.568
N10	1.822	0.000	-0.759
H11	2.766	0.000	-0.403
H12	1.679	0.000	-1.756
C13	0.790	0.000	0.139
O14	0.968	-0.000	1.350
H15	-2.370	1.276	-0.427

	C1	H2	H3	H4	C5	H6	H7	C8	H9	N10	H11	H12	C13	O14	H15
C1		1.0941	1.0923	1.0939	2.5297	3.4887	2.7829	1.5327	2.1539	3.4950	4.3256	3.7134	2.4933	2.9792	2.7666
H2	1.0941		1.7705	1.7724	3.4887	4.3381	3.7907	2.1836	2.4978	3.4557	4.2085	3.6032	2.7596	3.3041	3.7703
H3	1.0923	1.7705		1.7774	2.7829	3.7907	2.5899	2.1623	3.0597	3.9275	4.6093	4.3771	2.7123	2.7193	3.1258
H4	1.0939	1.7724	1.7774		2.7666	3.7703	3.1258	2.1726	2.5041	4.3939	5.2925	4.4483	3.4544	3.9912	2.5527
C5	2.5297	3.4887	2.7829	2.7666		1.0941	1.0923	1.5327	2.1539	3.4951	4.3256	3.7133	2.4933	2.9792	1.0940
H6	3.4887	4.3381	3.7907	3.7703	1.0941		1.7705	2.1836	2.4978	3.4558	4.2084	3.6029	2.7596	3.3041	1.7724
H7	2.7829	3.7907	2.5899	3.1258	1.0923	1.7705		2.1623	3.0597	3.9276	4.6093	4.3770	2.7123	2.7193	1.7774
C8	1.5327	2.1836	2.1623	2.1726	1.5327	2.1836	2.1623		1.0975	2.4505	3.3793	2.6260	1.5298	2.4125	2.1726
H9	2.1539	2.4978	3.0597	2.5041	2.1539	2.4978	3.0597	1.0975		2.4983	3.5077	2.2291	2.1656	3.2858	2.5041
N10	3.4950	3.4557	3.9275	4.3939	3.4951	3.4558	3.9276	2.4505	2.4983		1.0097	1.0070	1.3683	2.2752	4.3939
H11	4.3256	4.2085	4.6093	5.2925	4.3256	4.2084	4.6093	3.3793	3.5077	1.0097		1.7357	2.0499	2.5115	5.2924
H12	3.7134	3.6032	4.3771	4.4483	3.7133	3.6029	4.3770	2.6260	2.2291	1.0070	1.7357		2.0938	3.1863	4.4481
C13	2.4933	2.7596	2.7123	3.4544	2.4933	2.7596	2.7123	1.5298	2.1656	1.3683	2.0499	2.0938		1.2236	3.4544
O14	2.9792	3.3041	2.7193	3.9912	2.9792	3.3041	2.7193	2.4125	3.2858	2.2752	2.5115	3.1863	1.2236		3.9912
H15	2.7666	3.7703	3.1258	2.5527	1.0940	1.7724	1.7774	2.1726	2.5041	4.3939	5.2924	4.4481	3.4544	3.9912

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C8	C5	111.221	C1	C8	H9	108.827
C1	C8	C13	109.008	H2	C1	H3	108.145
H2	C1	H4	108.200	H2	C1	C8	111.363
H3	C1	H4	108.780	H3	C1	C8	109.778
H4	C1	C8	110.500	C5	C8	H9	108.827
C5	C8	C13	109.007	H6	C5	H7	108.145
H6	C5	C8	111.363	H6	C5	H15	108.200
H7	C5	C8	109.778	H7	C5	H15	108.780
C8	C5	H15	110.500	C8	C13	N10	115.350
C8	C13	O14	121.985	H9	C8	C13	109.941
N10	C13	O14	122.665	H11	N10	H12	118.779
H11	N10	C13	118.308	H12	N10	C13	122.913

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

using model chemistry: B2PLYP=FULLultrafine/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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All results from a given calculation for C4H9NO (Propanamide, 2-methyl-)

using model chemistry: B2PLYP=FULLultrafine/6-31G*

States and conformations

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