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	hartrees
Energy at 0K	-209.174166
Energy at 298.15K
HF Energy	-209.174166
Nuclear repulsion energy	121.279067

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3672	3624	26.77
2	A	3532	3486	18.98
3	A	3082	3042	10.49
4	A	3058	3019	16.65
5	A	2990	2951	11.18
6	A	1720	1697	356.17
7	A	1587	1566	81.19
8	A	1461	1442	7.03
9	A	1444	1425	8.04
10	A	1363	1346	42.08
11	A	1302	1285	138.70
12	A	1093	1079	0.14
13	A	1025	1012	2.09
14	A	957	945	11.48
15	A	817	807	3.11
16	A	653	644	5.98
17	A	535	528	11.18
18	A	509	502	5.22
19	A	424	418	4.40
20	A	169	167	175.07
21	A	20i	20i	3.39

Atom	x (Å)	y (Å)	z (Å)
C1	-1.367	-0.334	-0.001
C2	0.076	0.148	-0.006
N3	1.026	-0.839	-0.005
O4	0.372	1.333	0.001
H5	-1.939	0.264	-0.714
H6	-1.476	-1.395	-0.244
H7	-1.789	-0.157	0.994
H8	1.998	-0.573	0.030
H9	0.789	-1.818	0.008

	C1	C2	N3	O4	H5	H6	H7	H8	H9
C1		1.5220	2.4459	2.4094	1.0918	1.0938	1.0947	3.3740	2.6178
C2	1.5220		1.3701	1.2212	2.1390	2.2014	2.1386	2.0529	2.0914
N3	2.4459	1.3701		2.2687	3.2415	2.5733	3.0640	1.0090	1.0065
O4	2.4094	1.2212	2.2687		2.6452	3.3040	2.8070	2.5052	3.1783
H5	1.0918	2.1390	3.2415	2.6452		1.7848	1.7651	4.0931	3.5065
H6	1.0938	2.2014	2.5733	3.3040	1.7848		1.7780	3.5802	2.3178
H7	1.0947	2.1386	3.0640	2.8070	1.7651	1.7780		3.9299	3.2214
H8	3.3740	2.0529	1.0090	2.5052	4.0931	3.5802	3.9299		1.7355
H9	2.6178	2.0914	1.0065	3.1783	3.5065	2.3178	3.2214	1.7355

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	114.427	C1	C2	O4	123.212
C2	C1	H5	108.925	C2	C1	H6	111.034
C2	C1	H7	110.648	C2	N3	H8	118.040
C2	N3	H9	121.966	N3	C2	O4	122.346
H5	C1	H6	109.371	H5	C1	H7	109.196
H6	C1	H7	107.636	H8	N3	H9	118.093

All results from a given calculation for CH₃CONH₂ (Acetamide)

using model chemistry: B97D3/6-311+G(3df,2p)

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	-0.270
2	C	0.917
3	N	-0.642
4	O	-0.742
5	H	0.134
6	H	0.115
7	H	0.138
8	H	0.167
9	H	0.182

	x	y	z	Total
	-0.159	-3.820	0.085	3.824
CHELPG
AIM
ESP

	x	y	z
x	6.760	-0.208	-0.027
y	-0.208	6.766	-0.001
z	-0.027	-0.001	4.556

<r²>	75.737
(<r²>)^1/2	8.703

All results from a given calculation for CH3CONH2 (Acetamide)

using model chemistry: B97D3/6-311+G(3df,2p)

States and conformations

All results from a given calculation for CH₃CONH₂ (Acetamide)