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	hartrees
Energy at 0K	-209.179657
Energy at 298.15K
HF Energy	-209.179657
Nuclear repulsion energy	121.251171

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3670	3614	26.66
2	A	3530	3476	19.63
3	A	3077	3030	12.03
4	A	3072	3025	14.61
5	A	2997	2951	11.44
6	A	1711	1685	356.53
7	A	1587	1563	77.11
8	A	1461	1438	7.36
9	A	1444	1422	6.83
10	A	1364	1344	38.41
11	A	1304	1284	143.85
12	A	1092	1076	0.25
13	A	1028	1013	2.01
14	A	959	945	11.73
15	A	818	805	3.06
16	A	656	646	6.18
17	A	532	524	11.33
18	A	513	505	5.36
19	A	425	419	4.58
20	A	154	152	173.21
21	A	18i	18i	3.63

Atom	x (Å)	y (Å)	z (Å)
C1	-1.365	-0.343	-0.000
C2	0.075	0.146	-0.002
N3	1.034	-0.832	-0.001
O4	0.361	1.336	0.000
H5	-1.884	0.105	-0.851
H6	-1.464	-1.431	-0.051
H7	-1.852	0.018	0.910
H8	2.003	-0.556	0.006
H9	0.807	-1.812	0.001

	C1	C2	N3	O4	H5	H6	H7	H8	H9
C1		1.5212	2.4481	2.4079	1.0930	1.0935	1.0936	3.3750	2.6219
C2	1.5212		1.3699	1.2232	2.1362	2.2044	2.1361	2.0518	2.0906
N3	2.4481	1.3699		2.2700	3.1807	2.5689	3.1438	1.0083	1.0056
O4	2.4079	1.2232	2.2700		2.6982	3.3148	2.7319	2.5047	3.1791
H5	1.0930	2.1362	3.1807	2.6982		1.7826	1.7632	4.0355	3.4124
H6	1.0935	2.2044	2.5689	3.3148	1.7826		1.7813	3.5764	2.3031
H7	1.0936	2.1361	3.1438	2.7319	1.7632	1.7813		4.0015	3.3537
H8	3.3750	2.0518	1.0083	2.5047	4.0355	3.5764	4.0015		1.7349
H9	2.6219	2.0906	1.0056	3.1791	3.4124	2.3031	3.3537	1.7349

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	115.628	C1	C2	O4	122.288
C2	C1	H5	108.488	C2	C1	H6	113.937
C2	C1	H7	108.452	C2	N3	H8	118.466
C2	N3	H9	122.560	N3	C2	O4	122.083
H5	C1	H6	109.230	H5	C1	H7	107.475
H6	C1	H7	109.064	H8	N3	H9	118.971

All results from a given calculation for CH₃CONH₂ (Acetamide)

using model chemistry: B97D3/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	-0.294
2	C	0.586
3	N	-0.096
4	O	-0.683
5	H	0.132
6	H	0.154
7	H	0.129
8	H	0.052
9	H	0.020

	x	y	z	Total
	-0.118	-3.799	0.017	3.800
CHELPG
AIM
ESP

	x	y	z
x	6.951	-0.235	-0.004
y	-0.235	6.941	-0.001
z	-0.004	-0.001	4.666

<r²>	75.765
(<r²>)^1/2	8.704

All results from a given calculation for CH3CONH2 (Acetamide)

using model chemistry: B97D3/aug-cc-pVTZ

States and conformations

All results from a given calculation for CH₃CONH₂ (Acetamide)