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	hartrees
Energy at 0K	-207.976012
Energy at 298.15K	-207.981922
HF Energy	-207.976012
Nuclear repulsion energy	122.711663

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3966	3563	51.44
2	A	3837	3448	50.18
3	A	3336	2997	10.54
4	A	3275	2943	21.14
5	A	3216	2889	8.94
6	A	1988	1786	439.78
7	A	1799	1616	120.42
8	A	1629	1464	7.29
9	A	1617	1453	8.15
10	A	1562	1404	72.26
11	A	1464	1315	149.17
12	A	1242	1116	0.86
13	A	1169	1051	9.43
14	A	1079	969	13.65
15	A	915	822	0.88
16	A	696	626	28.58
17	A	601	540	24.75
18	A	554	497	6.24
19	A	448	403	4.34
20	A	229	205	306.40
21	A	47	42	0.70

Atom	x (Å)	y (Å)	z (Å)
C1	-1.361	-0.312	-0.000
C2	0.079	0.153	-0.008
N3	1.005	-0.840	-0.032
O4	0.385	1.311	0.006
H5	-2.001	0.523	-0.243
H6	-1.524	-1.117	-0.709
H7	-1.621	-0.677	0.989
H8	1.960	-0.586	0.085
H9	0.757	-1.792	0.104

	C1	C2	N3	O4	H5	H6	H7	H8	H9
C1		1.5136	2.4246	2.3842	1.0799	1.0846	1.0861	3.3337	2.5857
C2	1.5136		1.3585	1.1972	2.1256	2.1623	2.1385	2.0235	2.0632
N3	2.4246	1.3585		2.2388	3.3075	2.6331	2.8222	0.9953	0.9931
O4	2.3842	1.1972	2.2388		2.5251	3.1702	2.9903	2.4667	3.1266
H5	1.0799	2.1256	3.3075	2.5251		1.7702	1.7613	4.1266	3.6173
H6	1.0846	2.1623	2.6331	3.1702	1.7702		1.7574	3.6132	2.5140
H7	1.0861	2.1385	2.8222	2.9903	1.7613	1.7574		3.6945	2.7715
H8	3.3337	2.0235	0.9953	2.4667	4.1266	3.6132	3.6945		1.7039
H9	2.5857	2.0632	0.9931	3.1266	3.6173	2.5140	2.7715	1.7039

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	115.064	C1	C2	O4	122.737
C2	C1	H5	108.936	C2	C1	H6	111.594
C2	C1	H7	109.594	C2	N3	H8	117.736
C2	N3	H9	121.883	N3	C2	O4	122.199
H5	C1	H6	109.746	H5	C1	H7	108.810
H6	C1	H7	108.118	H8	N3	H9	117.947

All results from a given calculation for CH₃CONH₂ (Acetamide)

using model chemistry: HF/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	-0.593
2	C	0.723
3	N	-0.908
4	O	-0.589
5	H	0.217
6	H	0.181
7	H	0.191
8	H	0.394
9	H	0.383

	x	y	z	Total
	-0.394	-3.977	0.475	4.025
CHELPG	-0.399	-4.007	0.480	4.056
AIM	1.347	1.046	-0.033	1.706
ESP	-0.416	-3.999	0.493	4.050

	x	y	z
x	4.363	-0.029	0.002
y	-0.029	4.935	-0.007
z	0.002	-0.007	2.865

<r²>	74.160
(<r²>)^1/2	8.612

All results from a given calculation for CH3CONH2 (Acetamide)

using model chemistry: HF/6-31G*

States and conformations

All results from a given calculation for CH₃CONH₂ (Acetamide)