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	hartrees
Energy at 0K	-209.307860
Energy at 298.15K	-209.313590
Nuclear repulsion energy	121.754694

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3726	3605	37.45
2	A	3590	3473	32.71
3	A	3124	3022	9.95
4	A	3115	3013	10.87
5	A	3047	2948	8.00
6	A	1755	1698	384.19
7	A	1622	1569	91.38
8	A	1491	1442	8.51
9	A	1474	1426	7.37
10	A	1399	1354	49.29
11	A	1340	1296	141.53
12	A	1120	1084	0.40
13	A	1057	1023	3.22
14	A	986	954	12.06
15	A	840	813	2.47
16	A	669	647	8.68
17	A	546	528	13.23
18	A	525	508	5.17
19	A	432	418	4.70
20	A	210	203	185.78
21	A	36	35	2.43

Atom	x (Å)	y (Å)	z (Å)
C1	-1.359	-0.348	-0.000
C2	0.074	0.145	-0.003
N3	1.037	-0.822	-0.001
O4	0.350	1.330	0.000
H5	-1.891	0.131	-0.820
H6	-1.452	-1.429	-0.093
H7	-1.832	-0.030	0.928
H8	2.002	-0.536	0.010
H9	0.819	-1.800	-0.002

	C1	C2	N3	O4	H5	H6	H7	H8	H9
C1		1.5159	2.4426	2.3954	1.0885	1.0890	1.0897	3.3658	2.6170
C2	1.5159		1.3642	1.2168	2.1290	2.1946	2.1286	2.0439	2.0822
N3	2.4426	1.3642		2.2587	3.1867	2.5641	3.1181	1.0055	1.0025
O4	2.3954	1.2168	2.2587		2.6711	3.2970	2.7334	2.4921	3.1648
H5	1.0885	2.1290	3.1867	2.6711		1.7765	1.7567	4.0359	3.4264
H6	1.0890	2.1946	2.5641	3.2970	1.7765		1.7737	3.5686	2.3023
H7	1.0897	2.1286	3.1181	2.7334	1.7567	1.7737		3.9741	3.3202
H8	3.3658	2.0439	1.0055	2.4921	4.0359	3.5686	3.9741		1.7310
H9	2.6170	2.0822	1.0025	3.1648	3.4264	2.3023	3.3202	1.7310

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	115.912	C1	C2	O4	122.076
C2	C1	H5	108.551	C2	C1	H6	113.801
C2	C1	H7	108.450	C2	N3	H8	118.416
C2	N3	H9	122.498	N3	C2	O4	122.011
H5	C1	H6	109.339	H5	C1	H7	107.512
H6	C1	H7	109.001	H8	N3	H9	119.084

All results from a given calculation for CH₃CONH₂ (Acetamide)

using model chemistry: B3LYP/aug-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	-0.468
2	C	0.552
3	N	-0.174
4	O	-0.654
5	H	0.197
6	H	0.212
7	H	0.192
8	H	0.087
9	H	0.055

	x	y	z	Total
	-0.157	-3.891	0.021	3.894
CHELPG
AIM
ESP

	x	y	z
x	6.583	-0.206	-0.008
y	-0.206	6.661	-0.001
z	-0.008	-0.001	4.537

<r²>	75.364
(<r²>)^1/2	8.681

All results from a given calculation for CH3CONH2 (Acetamide)

using model chemistry: B3LYP/aug-cc-pVTZ

States and conformations

All results from a given calculation for CH₃CONH₂ (Acetamide)