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	hartrees
Energy at 0K	-208.070486
Energy at 298.15K	-208.076298
HF Energy	-208.070486
Nuclear repulsion energy	123.094889

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3968	3597	54.25
2	A	3830	3472	52.79
3	A	3287	2980	11.54
4	A	3236	2933	20.35
5	A	3178	2881	9.09
6	A	1937	1755	476.19
7	A	1771	1605	114.51
8	A	1606	1456	8.61
9	A	1588	1439	10.08
10	A	1535	1391	73.59
11	A	1443	1308	150.19
12	A	1225	1110	0.98
13	A	1158	1049	6.24
14	A	1068	968	18.20
15	A	905	820	1.04
16	A	699	633	14.46
17	A	601	545	20.37
18	A	558	506	3.46
19	A	453	411	4.32
20	A	151	137	229.85
21	A	46	42	2.58

Atom	x (Å)	y (Å)	z (Å)
C1	-1.359	-0.310	0.000
C2	0.078	0.153	-0.001
N3	1.004	-0.835	-0.031
O4	0.384	1.305	0.005
H5	-2.007	0.549	-0.054
H6	-1.547	-0.963	-0.844
H7	-1.570	-0.864	0.907
H8	1.957	-0.583	0.069
H9	0.754	-1.782	0.104

	C1	C2	N3	O4	H5	H6	H7	H8	H9
C1		1.5099	2.4215	2.3763	1.0775	1.0834	1.0837	3.3286	2.5767
C2	1.5099		1.3551	1.1916	2.1228	2.1439	2.1391	2.0197	2.0519
N3	2.4215	1.3551		2.2283	3.3146	2.6812	2.7402	0.9910	0.9882
O4	2.3763	1.1916	2.2283		2.5084	3.0973	3.0556	2.4579	3.1098
H5	1.0775	2.1228	3.3146	2.5084		1.7669	1.7641	4.1247	3.6163
H6	1.0834	2.1439	2.6812	3.0973	1.7669		1.7539	3.6416	2.6196
H7	1.0837	2.1391	2.7402	3.0556	1.7641	1.7539		3.6366	2.6240
H8	3.3286	2.0197	0.9910	2.4579	4.1247	3.6416	3.6366		1.6995
H9	2.5767	2.0519	0.9882	3.1098	3.6163	2.6196	2.6240	1.6995

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	115.282	C1	C2	O4	122.760
C2	C1	H5	109.121	C2	C1	H6	110.452
C2	C1	H7	110.047	C2	N3	H8	117.997
C2	N3	H9	121.450	N3	C2	O4	121.950
H5	C1	H6	109.707	H5	C1	H7	109.430
H6	C1	H7	108.067	H8	N3	H9	118.333

All results from a given calculation for CH₃CONH₂ (Acetamide)

using model chemistry: HF/Def2TZVPP

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	-0.193
2	C	0.464
3	N	-0.425
4	O	-0.487
5	H	0.104
6	H	0.058
7	H	0.078
8	H	0.212
9	H	0.191

	x	y	z	Total
	-0.363	-4.060	0.181	4.081
CHELPG
AIM
ESP

	x	y	z
x	5.171	-0.042	-0.009
y	-0.042	5.522	-0.001
z	-0.009	-0.001	3.764

<r²>	73.950
(<r²>)^1/2	8.599

All results from a given calculation for CH3CONH2 (Acetamide)

using model chemistry: HF/Def2TZVPP

States and conformations

All results from a given calculation for CH₃CONH₂ (Acetamide)