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	hartrees
Energy at 0K	-287.022808
Energy at 298.15K
HF Energy	-286.106745
Nuclear repulsion energy	248.076160

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3801	3612	37.09
2	A	3653	3472	45.35
3	A	3182	3024	25.28
4	A	3178	3020	3.55
5	A	3163	3006	37.09
6	A	3162	3004	14.68
7	A	3080	2927	24.22
8	A	3076	2923	20.52
9	A	3075	2922	30.28
10	A	1804	1714	263.90
11	A	1682	1599	102.35
12	A	1553	1476	22.24
13	A	1541	1464	14.24
14	A	1527	1451	2.64
15	A	1524	1448	1.59
16	A	1453	1381	69.85
17	A	1444	1372	15.56
18	A	1429	1358	9.34
19	A	1358	1290	0.49
20	A	1308	1243	92.93
21	A	1225	1164	4.22
22	A	1156	1099	0.27
23	A	1156	1098	5.21
24	A	1079	1026	7.62
25	A	1000	950	0.35
26	A	950	903	2.48
27	A	948	900	1.90
28	A	784	745	2.84
29	A	779	740	3.21
30	A	622	591	5.52
31	A	606	576	15.02
32	A	485	461	3.56
33	A	331	315	0.87
34	A	299	284	3.95
35	A	258	245	5.41
36	A	249	237	0.00
37	A	219	208	0.05
38	A	28	26	6.42
39	A	239i	227i	238.35

Atom	x (Å)	y (Å)	z (Å)
C1	1.345	1.261	-0.025
H2	0.828	2.164	-0.361
H3	1.397	1.283	1.065
H4	2.361	1.277	-0.427
C5	1.344	-1.261	-0.026
H6	0.827	-2.164	-0.362
H7	1.397	-1.284	1.064
C8	0.609	0.000	-0.479
H9	0.534	0.000	-1.573
N10	-1.817	0.000	-0.753
H11	-2.757	-0.000	-0.394
H12	-1.677	0.000	-1.746
C13	-0.783	0.000	0.138
O14	-0.955	-0.000	1.348
H15	2.361	-1.277	-0.428

	C1	H2	H3	H4	C5	H6	H7	C8	H9	N10	H11	H12	C13	O14	H15
C1		1.0935	1.0920	1.0934	2.5222	3.4803	2.7689	1.5285	2.1548	3.4811	4.3068	3.6988	2.4788	2.9609	2.7635
H2	1.0935		1.7705	1.7731	3.4803	4.3283	3.7742	2.1783	2.4977	3.4400	4.1875	3.5882	2.7436	3.2842	3.7680
H3	1.0920	1.7705		1.7771	2.7688	3.7742	2.5668	2.1562	3.0581	3.9095	4.5857	4.3587	2.6941	2.6942	3.1166
H4	1.0934	1.7731	1.7771		2.7635	3.7680	3.1167	2.1686	2.5065	4.3815	5.2751	4.4359	3.4406	3.9727	2.5539
C5	2.5222	3.4803	2.7688	2.7635		1.0935	1.0920	1.5285	2.1548	3.4809	4.3063	3.6984	2.4788	2.9605	1.0934
H6	3.4803	4.3283	3.7742	3.7680	1.0935		1.7705	2.1783	2.4977	3.4396	4.1866	3.5875	2.7437	3.2837	1.7731
H7	2.7689	3.7742	2.5668	3.1167	1.0920	1.7705		2.1562	3.0581	3.9093	4.5852	4.3583	2.6941	2.6938	1.7771
C8	1.5285	2.1783	2.1562	2.1686	1.5285	2.1783	2.1562		1.0975	2.4420	3.3669	2.6140	1.5227	2.4049	2.1686
H9	2.1548	2.4977	3.0581	2.5065	2.1548	2.4977	3.0581	1.0975		2.4899	3.4955	2.2175	2.1595	3.2791	2.5065
N10	3.4811	3.4400	3.9095	4.3815	3.4809	3.4396	3.9093	2.4420	2.4899		1.0059	1.0026	1.3654	2.2718	4.3813
H11	4.3068	4.1875	4.5857	5.2751	4.3063	4.1866	4.5852	3.3669	3.4955	1.0059		1.7306	2.0439	2.5063	5.2747
H12	3.6988	3.5882	4.3587	4.4359	3.6984	3.5875	4.3583	2.6140	2.2175	1.0026	1.7306		2.0855	3.1776	4.4355
C13	2.4788	2.7436	2.6941	3.4406	2.4788	2.7437	2.6941	1.5227	2.1595	1.3654	2.0439	2.0855		1.2223	3.4407
O14	2.9609	3.2842	2.6942	3.9727	2.9605	3.2837	2.6938	2.4049	3.2791	2.2718	2.5063	3.1776	1.2223		3.9725
H15	2.7635	3.7680	3.1166	2.5539	1.0934	1.7731	1.7771	2.1686	2.5065	4.3813	5.2747	4.4355	3.4407	3.9725

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C8	C5	111.191	C1	C8	H9	109.183
C1	C8	C13	108.661	H2	C1	H3	108.210
H2	C1	H4	108.344	H2	C1	C8	111.276
H3	C1	H4	108.813	H3	C1	C8	109.616
H4	C1	C8	110.513	C5	C8	H9	109.183
C5	C8	C13	108.662	H6	C5	H7	108.210
H6	C5	C8	111.277	H6	C5	H15	108.344
H7	C5	C8	109.616	H7	C5	H15	108.813
C8	C5	H15	110.513	C8	C13	N10	115.347
C8	C13	O14	121.962	H9	C8	C13	109.949
N10	C13	O14	122.691	H11	N10	H12	118.999
H11	N10	C13	118.281	H12	N10	C13	122.720

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

using model chemistry: MP2/6-311G*

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: MP2/6-311G*

States and conformations

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