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	hartrees
Energy at 0K	-206.455816
Energy at 298.15K	-206.461507
Nuclear repulsion energy	117.411989

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3794	3385	0.00
2	A	3584	3199	2.76
3	A	3495	3119	0.07
4	A	3468	3095	0.27
5	A	3306	2950	0.62
6	A	1873	1672	71.58
7	A	1762	1573	13.37
8	A	1665	1486	4.38
9	A	1662	1484	6.27
10	A	1532	1367	6.15
11	A	1344	1200	111.56
12	A	1200	1071	4.95
13	A	1098	980	9.24
14	A	1034	923	4.07
15	A	855	763	6.44
16	A	609	544	165.57
17	A	525	469	69.70
18	A	514	458	11.69
19	A	416	372	14.04
20	A	375	334	32.64
21	A	99	88	0.21

Atom	x (Å)	y (Å)	z (Å)
C1	1.423	-0.264	-0.001
C2	-0.081	0.177	0.008
N3	-0.987	-0.960	-0.106
O4	-0.488	1.361	0.013
H5	2.065	0.628	-0.023
H6	1.660	-0.853	0.900
H7	1.633	-0.884	-0.887
H8	-1.958	-0.722	0.214
H9	-0.645	-1.818	0.391

	C1	C2	N3	O4	H5	H6	H7	H8	H9
C1		1.5673	2.5106	2.5089	1.0994	1.1020	1.1014	3.4183	2.6163
C2	1.5673		1.4577	1.2528	2.1930	2.2110	2.2051	2.0908	2.1077
N3	2.5106	1.4577		2.3772	3.4412	2.8343	2.7352	1.0492	1.0487
O4	2.5089	1.2528	2.3772		2.6561	3.2099	3.2170	2.5575	3.2054
H5	1.0994	2.1930	3.4412	2.6561		1.7911	1.7941	4.2495	3.6741
H6	1.1020	2.2110	2.8343	3.2099	1.7911		1.7878	3.6850	2.5511
H7	1.1014	2.2051	2.7352	3.2170	1.7941	1.7878		3.7593	2.7745
H8	3.4183	2.0908	1.0492	2.5575	4.2495	3.6850	3.7593		1.7188
H9	2.6163	2.1077	1.0487	3.2054	3.6741	2.5511	2.7745	1.7188

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	112.139	C1	C2	O4	125.285
C2	C1	H5	109.387	C2	C1	H6	110.637
C2	C1	H7	110.216	C2	N3	H8	111.995
C2	N3	H9	113.471	N3	C2	O4	122.392
H5	C1	H6	108.897	H5	C1	H7	109.211
H6	C1	H7	108.461	H8	N3	H9	110.025

All results from a given calculation for CH₃CONH₂ (Acetamide)

using model chemistry: B3LYP/STO-3G

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	-0.242
2	C	0.210
3	N	-0.376
4	O	-0.216
5	H	0.090
6	H	0.079
7	H	0.088
8	H	0.186
9	H	0.181

	x	y	z	Total
	0.269	-2.117	1.193	2.445
CHELPG
AIM
ESP

	x	y	z
x	2.993	0.054	-0.028
y	0.054	3.471	-0.095
z	-0.028	-0.095	1.323

<r²>	78.053
(<r²>)^1/2	8.835

All results from a given calculation for CH3CONH2 (Acetamide)

using model chemistry: B3LYP/STO-3G

States and conformations

All results from a given calculation for CH₃CONH₂ (Acetamide)