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	hartrees
Energy at 0K	-285.050500
Energy at 298.15K	-285.061156
HF Energy	-284.455009
Nuclear repulsion energy	245.830278

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3703	3523	28.24
2	A	3564	3390	36.80
3	A	3184	3029	16.36
4	A	3163	3009	28.03
5	A	3159	3006	15.62
6	A	3159	3005	21.47
7	A	3093	2942	13.85
8	A	3088	2938	16.78
9	A	3081	2931	17.20
10	A	1732	1648	185.55
11	A	1695	1612	32.00
12	A	1608	1530	12.53
13	A	1602	1524	9.49
14	A	1590	1513	0.59
15	A	1588	1510	3.07
16	A	1499	1426	16.71
17	A	1480	1408	6.01
18	A	1418	1349	16.26
19	A	1391	1323	20.28
20	A	1310	1246	136.90
21	A	1248	1187	8.60
22	A	1164	1108	3.13
23	A	1154	1098	8.39
24	A	1085	1033	8.19
25	A	1011	962	0.61
26	A	989	940	2.97
27	A	912	868	2.90
28	A	775	737	13.76
29	A	732	696	9.40
30	A	615	585	7.66
31	A	583	555	53.44
32	A	485	462	5.14
33	A	395	376	251.08
34	A	363	345	2.71
35	A	309	294	8.88
36	A	255	242	5.33
37	A	239	227	0.39
38	A	201	191	0.21
39	A	49	47	4.60

Atom	x (Å)	y (Å)	z (Å)
C1	-1.601	-0.970	-0.341
H2	-1.320	-1.742	-1.065
H3	-1.552	-1.411	0.658
H4	-2.626	-0.643	-0.550
C5	-1.077	1.363	0.549
H6	-0.379	2.206	0.514
H7	-1.105	0.976	1.574
C8	-0.631	0.226	-0.413
H9	-0.593	0.617	-1.439
N10	1.782	0.644	-0.368
H11	2.737	0.427	-0.109
H12	1.600	1.470	-0.919
C13	0.782	-0.239	-0.012
O14	1.001	-1.300	0.617
H15	-2.077	1.718	0.279

	C1	H2	H3	H4	C5	H6	H7	C8	H9	N10	H11	H12	C13	O14	H15
C1		1.0946	1.0931	1.0953	2.5518	3.5094	2.7754	1.5420	2.1771	3.7485	4.5634	4.0666	2.5143	2.7929	2.7996
H2	1.0946		1.7698	1.7823	3.5077	4.3549	3.7943	2.1842	2.4959	3.9746	4.6983	4.3431	2.7901	2.9007	3.7880
H3	1.0931	1.7698		1.7895	2.8160	3.8049	2.5952	2.1616	3.0698	4.0476	4.7277	4.5515	2.6951	2.5552	3.1951
H4	1.0953	1.7823	1.7895		2.7622	3.7810	3.0734	2.1801	2.5511	4.5949	5.4856	4.7386	3.4729	3.8661	2.5616
C5	2.5518	3.5077	2.8160	2.7622		1.0952	1.0957	1.5552	2.1777	3.0874	3.9817	3.0549	2.5172	3.3786	1.0952
H6	3.5094	4.3549	3.8049	3.7810	1.0952		1.7785	2.2013	2.5268	2.8089	3.6418	2.5517	2.7576	3.7697	1.7825
H7	2.7754	3.7943	2.5952	3.0734	1.0957	1.7785		2.1761	3.0766	3.4945	4.2292	3.7110	2.7474	3.2448	1.7815
C8	1.5420	2.1842	2.1616	2.1801	1.5552	2.2013	2.1761		1.0980	2.4489	3.3870	2.6037	1.5401	2.4601	2.1906
H9	2.1771	2.4959	3.0698	2.5511	2.1777	2.5268	3.0766	1.0980		2.6049	3.5901	2.4093	2.1580	3.2311	2.5233
N10	3.7485	3.9746	4.0476	4.5949	3.0874	2.8089	3.4945	2.4489	2.6049		1.0128	1.0103	1.3809	2.3147	4.0578
H11	4.5634	4.6983	4.7277	5.4856	3.9817	3.6418	4.2292	3.3870	3.5901	1.0128		1.7432	2.0676	2.5536	4.9992
H12	4.0666	4.3431	4.5515	4.7386	3.0549	2.5517	3.7110	2.6037	2.4093	1.0103	1.7432		2.1013	3.2240	3.8751
C13	2.5143	2.7901	2.6951	3.4729	2.5172	2.7576	2.7474	1.5401	2.1580	1.3809	2.0676	2.1013		1.2526	3.4769
O14	2.7929	2.9007	2.5552	3.8661	3.3786	3.7697	3.2448	2.4601	3.2311	2.3147	2.5536	3.2240	1.2526		4.3243
H15	2.7996	3.7880	3.1951	2.5616	1.0952	1.7825	1.7815	2.1906	2.5233	4.0578	4.9992	3.8751	3.4769	4.3243

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C8	C5	110.954	C1	C8	H9	109.962
C1	C8	C13	109.329	H2	C1	H3	107.998
H2	C1	H4	108.948	H2	C1	C8	110.727
H3	C1	H4	109.723	H3	C1	C8	109.044
H4	C1	C8	110.362	C5	C8	H9	109.109
C5	C8	C13	108.826	H6	C5	H7	108.538
H6	C5	C8	111.118	H6	C5	H15	108.933
H7	C5	C8	109.121	H7	C5	H15	108.806
C8	C5	H15	110.276	C8	C13	N10	113.829
C8	C13	O14	123.178	H9	C8	C13	108.616
N10	C13	O14	122.957	H11	N10	H12	119.006
H11	N10	C13	118.683	H12	N10	C13	122.228

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

using model chemistry: MP2/3-21G*

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: MP2/3-21G*

States and conformations

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