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	hartrees
Energy at 0K	-209.054029
Energy at 298.15K	-209.059779
HF Energy	-208.815903
Nuclear repulsion energy	121.641126

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3769	3599	35.97
2	A	3630	3467	35.54
3	A	3200	3056	5.19
4	A	3149	3008	10.11
5	A	3078	2940	5.40
6	A	1808	1727	273.68
7	A	1631	1558	88.89
8	A	1503	1436	6.91
9	A	1491	1424	9.00
10	A	1413	1349	73.57
11	A	1348	1288	91.78
12	A	1133	1082	0.39
13	A	1063	1015	4.11
14	A	984	940	8.20
15	A	849	811	2.17
16	A	649	620	10.94
17	A	553	528	16.76
18	A	518	495	4.84
19	A	415	396	3.77
20	A	233	222	204.65
21	A	47	45	0.24

Atom	x (Å)	y (Å)	z (Å)
C1	-1.373	-0.286	0.000
C2	0.083	0.157	0.001
N3	0.981	-0.877	-0.031
O4	0.426	1.322	0.004
H5	-2.003	0.597	-0.059
H6	-1.582	-0.942	-0.849
H7	-1.608	-0.839	0.913
H8	1.956	-0.650	0.069
H9	0.700	-1.830	0.103

	C1	C2	N3	O4	H5	H6	H7	H8	H9
C1		1.5216	2.4271	2.4119	1.0870	1.0928	1.0930	3.3491	2.5866
C2	1.5216		1.3700	1.2136	2.1331	2.1685	2.1643	2.0407	2.0836
N3	2.4271	1.3700		2.2676	3.3290	2.6916	2.7567	1.0055	1.0035
O4	2.4119	1.2136	2.2676		2.5354	3.1433	3.1031	2.4968	3.1654
H5	1.0870	2.1331	3.3290	2.5354		1.7804	1.7781	4.1532	3.6368
H6	1.0928	2.1685	2.6916	3.1433	1.7804		1.7651	3.6667	2.6275
H7	1.0930	2.1643	2.7567	3.1031	1.7781	1.7651		3.6679	2.6394
H8	3.3491	2.0407	1.0055	2.4968	4.1532	3.6667	3.6679		1.7241
H9	2.5866	2.0836	1.0035	3.1654	3.6368	2.6275	2.6394	1.7241

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	114.046	C1	C2	O4	123.328
C2	C1	H5	108.575	C2	C1	H6	111.021
C2	C1	H7	110.681	C2	N3	H8	117.601
C2	N3	H9	122.009	N3	C2	O4	122.612
H5	C1	H6	109.531	H5	C1	H7	109.306
H6	C1	H7	107.707	H8	N3	H9	118.219

All results from a given calculation for CH₃CONH₂ (Acetamide)

using model chemistry: B2PLYP/6-31G(2df,p)

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	-0.502
2	C	0.401
3	N	-0.535
4	O	-0.357
5	H	0.162
6	H	0.140
7	H	0.150
8	H	0.273
9	H	0.269

	x	y	z	Total
	-0.242	-3.576	0.438	3.611
CHELPG
AIM
ESP

	x	y	z
x	5.213	-0.114	0.007
y	-0.114	5.494	-0.010
z	0.007	-0.010	3.314

<r²>	74.846
(<r²>)^1/2	8.651

All results from a given calculation for CH3CONH2 (Acetamide)

using model chemistry: B2PLYP/6-31G(2df,p)

States and conformations

All results from a given calculation for CH₃CONH₂ (Acetamide)