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	hartrees
Energy at 0K	-209.134043
Energy at 298.15K	-209.139716
HF Energy	-208.880193
Nuclear repulsion energy	121.817968

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3756	3603	37.86
2	A	3615	3468	35.91
3	A	3171	3042	6.78
4	A	3135	3008	13.10
5	A	3067	2943	7.19
6	A	1774	1702	317.74
7	A	1628	1562	91.71
8	A	1504	1443	7.88
9	A	1486	1426	9.56
10	A	1411	1354	70.36
11	A	1350	1296	104.98
12	A	1127	1081	0.45
13	A	1063	1020	3.28
14	A	989	949	10.90
15	A	850	816	2.24
16	A	662	635	8.61
17	A	552	529	14.67
18	A	520	499	4.89
19	A	426	408	3.83
20	A	161	155	190.14
21	A	46	44	4.51

Atom	x (Å)	y (Å)	z (Å)
C1	-1.369	-0.296	-0.000
C2	0.080	0.155	0.001
N3	0.990	-0.867	-0.031
O4	0.412	1.323	0.004
H5	-2.005	0.579	-0.059
H6	-1.570	-0.952	-0.847
H7	-1.598	-0.848	0.911
H8	1.962	-0.631	0.067
H9	0.716	-1.822	0.102

	C1	C2	N3	O4	H5	H6	H7	H8	H9
C1		1.5175	2.4270	2.4064	1.0836	1.0896	1.0898	3.3478	2.5856
C2	1.5175		1.3686	1.2139	2.1291	2.1606	2.1563	2.0403	2.0792
N3	2.4270	1.3686		2.2651	3.3261	2.6886	2.7538	1.0044	1.0023
O4	2.4064	1.2139	2.2651		2.5298	3.1345	3.0940	2.4952	3.1610
H5	1.0836	2.1291	3.3261	2.5298		1.7752	1.7731	4.1495	3.6327
H6	1.0896	2.1606	2.6886	3.1345	1.7752		1.7613	3.6621	2.6241
H7	1.0898	2.1563	2.7538	3.0940	1.7731	1.7613		3.6646	2.6377
H8	3.3478	2.0403	1.0044	2.4952	4.1495	3.6621	3.6646		1.7231
H9	2.5856	2.0792	1.0023	3.1610	3.6327	2.6241	2.6377	1.7231

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	114.371	C1	C2	O4	123.141
C2	C1	H5	108.727	C2	C1	H6	110.871
C2	C1	H7	110.512	C2	N3	H8	117.765
C2	N3	H9	121.793	N3	C2	O4	122.472
H5	C1	H6	109.541	H5	C1	H7	109.336
H6	C1	H7	107.834	H8	N3	H9	118.337

All results from a given calculation for CH₃CONH₂ (Acetamide)

using model chemistry: B2PLYP/cc-pVTZ

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	-0.335
2	C	0.213
3	N	-0.252
4	O	-0.323
5	H	0.133
6	H	0.094
7	H	0.126
8	H	0.174
9	H	0.171

	x	y	z	Total
	-0.154	-3.772	0.262	3.784
CHELPG
AIM
ESP

	x	y	z
x	5.783	-0.150	0.003
y	-0.150	5.943	-0.003
z	0.003	-0.003	3.774

<r²>	75.027
(<r²>)^1/2	8.662

All results from a given calculation for CH3CONH2 (Acetamide)

using model chemistry: B2PLYP/cc-pVTZ

States and conformations

All results from a given calculation for CH₃CONH₂ (Acetamide)