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	hartrees
Energy at 0K	-207.937927
Energy at 298.15K	-207.943924
HF Energy	-207.937927
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3605	3544	16.71
2	A	3466	3407	13.48
3	A	3131	3078	8.55
4	A	3065	3013	17.44
5	A	3004	2953	8.58
6	A	1715	1686	202.10
7	A	1640	1612	51.24
8	A	1528	1502	9.74
9	A	1504	1478	15.94
10	A	1394	1371	24.35
11	A	1304	1282	162.83
12	A	1116	1097	0.05
13	A	1062	1044	11.08
14	A	977	960	8.58
15	A	789	775	3.81
16	A	666	655	49.07
17	A	531	522	44.16
18	A	528	519	9.59
19	A	452	444	221.24
20	A	411	404	3.34
21	A	64	63	0.15

Atom	x (Å)	y (Å)	z (Å)
C1	-1.400	-0.217	0.000
C2	0.094	0.157	-0.000
N3	0.921	-0.948	0.000
O4	0.523	1.326	-0.000
H5	-1.985	0.708	-0.000
H6	-1.649	-0.810	-0.893
H7	-1.649	-0.809	0.893
H8	1.927	-0.802	-0.000
H9	0.561	-1.898	-0.000

	C1	C2	N3	O4	H5	H6	H7	H8	H9
C1		1.5391	2.4327	2.4650	1.0942	1.1008	1.1008	3.3780	2.5830
C2	1.5391		1.3799	1.2456	2.1504	2.1834	2.1833	2.0692	2.1071
N3	2.4327	1.3799		2.3082	3.3442	2.7235	2.7237	1.0171	1.0155
O4	2.4650	1.2456	2.3082		2.5831	3.1742	3.1740	2.5495	3.2239
H5	1.0942	2.1504	3.3442	2.5831		1.7928	1.7928	4.1935	3.6433
H6	1.1008	2.1834	2.7235	3.1742	1.7928		1.7866	3.6857	2.6202
H7	1.1008	2.1833	2.7237	3.1740	1.7928	1.7866		3.6858	2.6206
H8	3.3780	2.0692	1.0171	2.5495	4.1935	3.6857	3.6858		1.7509
H9	2.5830	2.1071	1.0155	3.2239	3.6433	2.6202	2.6206	1.7509

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	112.399	C1	C2	O4	123.934
C2	C1	H5	108.175	C2	C1	H6	110.996
C2	C1	H7	110.859	C2	N3	H8	118.038
C2	N3	H9	122.659	N3	C2	O4	123.666
H5	C1	H6	109.564	H5	C1	H7	109.340
H6	C1	H7	107.892	H8	N3	H9	118.281

All results from a given calculation for CH₃CONH₂ (Acetamide)

using model chemistry: B97D3/3-21G

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	-0.662
2	C	0.593
3	N	-0.739
4	O	-0.488
5	H	0.237
6	H	0.214
7	H	0.214
8	H	0.319
9	H	0.312

	x	y	z	Total
	-0.278	-3.731	-0.000	3.741
CHELPG
AIM
ESP

	x	y	z
x	4.650	-0.045	0.000
y	-0.045	5.103	0.000
z	0.000	0.000	2.460

<r²>	76.297
(<r²>)^1/2	8.735

All results from a given calculation for CH3CONH2 (Acetamide)

using model chemistry: B97D3/3-21G

States and conformations

All results from a given calculation for CH₃CONH₂ (Acetamide)