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	hartrees
Energy at 0K	-206.397323
Energy at 298.15K	-206.403025
Nuclear repulsion energy	118.113097

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3844	3394	0.62
2	A	3633	3208	5.77
3	A	3525	3113	0.22
4	A	3498	3089	0.08
5	A	3332	2943	0.99
6	A	1912	1688	77.55
7	A	1758	1553	17.62
8	A	1662	1467	5.03
9	A	1659	1465	6.09
10	A	1531	1352	9.84
11	A	1366	1206	116.29
12	A	1201	1061	2.63
13	A	1099	970	10.15
14	A	1039	917	2.47
15	A	873	771	4.28
16	A	598	528	120.96
17	A	526	464	73.09
18	A	516	456	53.57
19	A	423	374	19.01
20	A	375	332	35.50
21	A	99	87	0.20

Atom	x (Å)	y (Å)	z (Å)
C1	-1.414	-0.254	-0.001
C2	0.082	0.174	0.006
N3	0.971	-0.959	-0.101
O4	0.495	1.352	0.013
H5	-2.049	0.639	-0.027
H6	-1.628	-0.875	-0.881
H7	-1.655	-0.835	0.901
H8	1.945	-0.737	0.206
H9	0.622	-1.821	0.373

	C1	C2	N3	O4	H5	H6	H7	H8	H9
C1		1.5558	2.4888	2.4941	1.0967	1.0986	1.0992	3.3993	2.5963
C2	1.5558		1.4441	1.2478	2.1817	2.1935	2.1991	2.0835	2.0993
N3	2.4888	1.4441		2.3619	3.4179	2.7146	2.8137	1.0446	1.0440
O4	2.4941	1.2478	2.3619		2.6420	3.2035	3.1924	2.5507	3.1957
H5	1.0967	2.1817	3.4179	2.6420		1.7890	1.7859	4.2311	3.6539
H6	1.0986	2.1935	2.7146	3.2035	1.7890		1.7829	3.7367	2.7443
H7	1.0992	2.1991	2.8137	3.1924	1.7859	1.7829		3.6676	2.5374
H8	3.3993	2.0835	1.0446	2.5507	4.2311	3.7367	3.6676		1.7176
H9	2.5963	2.0993	1.0440	3.1957	3.6539	2.7443	2.5374	1.7176

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	112.064	C1	C2	O4	125.281
C2	C1	H5	109.455	C2	C1	H6	110.265
C2	C1	H7	110.666	C2	N3	H8	112.698
C2	N3	H9	114.111	N3	C2	O4	122.495
H5	C1	H6	109.157	H5	C1	H7	108.839
H6	C1	H7	108.425	H8	N3	H9	110.643

All results from a given calculation for CH₃CONH₂ (Acetamide)

using model chemistry: B1B95/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	-0.253
2	C	0.211
3	N	-0.385
4	O	-0.220
5	H	0.093
6	H	0.092
7	H	0.082
8	H	0.193
9	H	0.188

	x	y	z	Total
	-0.262	-2.206	1.167	2.509
CHELPG
AIM
ESP

	x	y	z
x	2.917	-0.046	0.023
y	-0.046	3.430	-0.086
z	0.023	-0.086	1.293

<r²>	77.216
(<r²>)^1/2	8.787

All results from a given calculation for CH3CONH2 (Acetamide)

using model chemistry: B1B95/STO-3G

States and conformations

All results from a given calculation for CH₃CONH₂ (Acetamide)