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	hartrees
Energy at 0K	-208.987986
Energy at 298.15K	-208.993606
Nuclear repulsion energy	120.578083

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3661	3619	33.58
2	A	3516	3476	24.36
3	A	3085	3050	2.93
4	A	3083	3047	16.35
5	A	2996	2961	9.48
6	A	1721	1702	370.87
7	A	1572	1554	99.62
8	A	1447	1431	10.36
9	A	1427	1411	9.51
10	A	1352	1337	76.03
11	A	1308	1293	102.28
12	A	1080	1068	0.46
13	A	1013	1002	3.06
14	A	950	939	7.87
15	A	827	818	2.12
16	A	651	644	7.34
17	A	524	518	10.59
18	A	508	502	9.75
19	A	419	415	4.56
20	A	200	198	208.32
21	A	39	38	4.03

Atom	x (Å)	y (Å)	z (Å)
C1	-1.370	-0.343	-0.000
C2	0.074	0.143	-0.000
N3	1.037	-0.838	-0.000
O4	0.365	1.344	0.000
H5	-1.880	0.073	-0.882
H6	-1.476	-1.439	-0.007
H7	-1.875	0.061	0.891
H8	2.013	-0.554	0.001
H9	0.814	-1.828	0.000

	C1	C2	N3	O4	H5	H6	H7	H8	H9
C1		1.5232	2.4565	2.4196	1.1010	1.1014	1.1011	3.3891	2.6404
C2	1.5232		1.3746	1.2351	2.1448	2.2152	2.1448	2.0605	2.1054
N3	2.4565	1.3746		2.2823	3.1803	2.5837	3.1750	1.0170	1.0146
O4	2.4196	1.2351	2.2823		2.7264	3.3368	2.7313	2.5126	3.2028
H5	1.1010	2.1448	3.1803	2.7264		1.7934	1.7734	4.0407	3.4129
H6	1.1014	2.2152	2.5837	3.3368	1.7934		1.7932	3.5998	2.3227
H7	1.1011	2.1448	3.1750	2.7313	1.7734	1.7932		4.0358	3.4046
H8	3.3891	2.0605	1.0170	2.5126	4.0407	3.5998	4.0358		1.7498
H9	2.6404	2.1054	1.0146	3.2028	3.4129	2.3227	3.4046	1.7498

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	115.834	C1	C2	O4	122.272
C2	C1	H5	108.563	C2	C1	H6	114.174
C2	C1	H7	108.560	C2	N3	H8	118.216
C2	N3	H9	122.862	N3	C2	O4	121.894
H5	C1	H6	109.035	H5	C1	H7	107.278
H6	C1	H7	109.012	H8	N3	H9	118.922

All results from a given calculation for CH₃CONH₂ (Acetamide)

using model chemistry: PBEPBE/6-31+G**

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	-0.521
2	C	0.327
3	N	-0.524
4	O	-0.470
5	H	0.208
6	H	0.153
7	H	0.208
8	H	0.319
9	H	0.301

	x	y	z	Total
	-0.155	-3.938	0.003	3.941
CHELPG
AIM
ESP

	x	y	z
x	6.361	-0.265	-0.001
y	-0.265	6.606	0.000
z	-0.001	0.000	4.204

<r²>	76.505
(<r²>)^1/2	8.747

All results from a given calculation for CH3CONH2 (Acetamide)

using model chemistry: PBEPBE/6-31+G**

States and conformations

All results from a given calculation for CH₃CONH₂ (Acetamide)