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	hartrees
Energy at 0K	-209.152729
Energy at 298.15K	-209.158808
Nuclear repulsion energy	120.570477

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3747	3605	24.52
2	A	3607	3470	26.95
3	A	3176	3055	7.62
4	A	3126	3007	18.29
5	A	3057	2941	7.80
6	A	1731	1665	293.90
7	A	1673	1609	65.41
8	A	1533	1475	11.10
9	A	1516	1458	14.34
10	A	1445	1390	37.22
11	A	1388	1335	161.27
12	A	1142	1099	1.60
13	A	1094	1053	15.12
14	A	1016	978	7.46
15	A	856	823	1.21
16	A	686	660	127.51
17	A	554	533	75.88
18	A	540	520	67.49
19	A	499	480	108.03
20	A	430	414	4.18
21	A	41	40	0.87

Atom	x (Å)	y (Å)	z (Å)
C1	-1.373	-0.314	-0.000
C2	0.074	0.141	-0.010
N3	1.011	-0.862	0.001
O4	0.399	1.346	0.001
H5	-1.989	0.465	-0.453
H6	-1.523	-1.255	-0.541
H7	-1.712	-0.455	1.034
H8	1.987	-0.609	0.025
H9	0.763	-1.838	-0.013

	C1	C2	N3	O4	H5	H6	H7	H8	H9
C1		1.5178	2.4464	2.4283	1.0910	1.0949	1.0970	3.3735	2.6237
C2	1.5178		1.3723	1.2477	2.1351	2.1863	2.1530	2.0547	2.0950
N3	2.4464	1.3723		2.2911	3.3115	2.6202	2.9400	1.0088	1.0067
O4	2.4283	1.2477	2.2911		2.5854	3.2783	2.9607	2.5187	3.2042
H5	1.0910	2.1351	3.3115	2.5854		1.7836	1.7700	4.1462	3.6146
H6	1.0949	2.1863	2.6202	3.2783	1.7836		1.7757	3.6131	2.4166
H7	1.0970	2.1530	2.9400	2.9607	1.7700	1.7757		3.8368	3.0214
H8	3.3735	2.0547	1.0088	2.5187	4.1462	3.6131	3.8368		1.7350
H9	2.6237	2.0950	1.0067	3.2042	3.6146	2.4166	3.0214	1.7350

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	115.569	C1	C2	O4	122.520
C2	C1	H5	108.755	C2	C1	H6	112.600
C2	C1	H7	109.812	C2	N3	H8	118.491
C2	N3	H9	122.684	N3	C2	O4	121.892
H5	C1	H6	109.361	H5	C1	H7	107.992
H6	C1	H7	108.217	H8	N3	H9	118.825

All results from a given calculation for CH₃CONH₂ (Acetamide)

using model chemistry: B3LYP/6-31G

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	-0.478
2	C	0.504
3	N	-0.716
4	O	-0.459
5	H	0.183
6	H	0.140
7	H	0.175
8	H	0.331
9	H	0.320

	x	y	z	Total
	-0.234	-4.091	0.086	4.099
CHELPG
AIM
ESP

	x	y	z
x	4.781	-0.122	-0.008
y	-0.122	5.429	0.004
z	-0.008	0.004	2.690

<r²>	76.037
(<r²>)^1/2	8.720

All results from a given calculation for CH3CONH2 (Acetamide)

using model chemistry: B3LYP/6-31G

States and conformations

All results from a given calculation for CH₃CONH₂ (Acetamide)