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	hartrees
Energy at 0K	-209.211514
Energy at 298.15K
HF Energy	-209.211514
Nuclear repulsion energy	122.116272

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3760	3593	54.78
2	A	3620	3459	50.29
3	A	3179	3039	2.30
4	A	3130	2991	4.54
5	A	3063	2927	3.75
6	A	1817	1737	398.04
7	A	1618	1546	119.96
8	A	1489	1423	8.83
9	A	1474	1409	13.49
10	A	1412	1350	103.12
11	A	1344	1284	87.75
12	A	1123	1073	1.20
13	A	1064	1017	3.22
14	A	981	938	12.13
15	A	859	821	1.03
16	A	646	617	6.56
17	A	561	536	15.13
18	A	535	511	3.05
19	A	422	403	3.81
20	A	179	172	198.11
21	A	80i	76i	0.15

Atom	x (Å)	y (Å)	z (Å)
C1	-1.365	-0.304	-0.000
C2	0.078	0.155	0.000
N3	0.996	-0.856	-0.029
O4	0.400	1.320	0.004
H5	-2.008	0.568	-0.057
H6	-1.558	-0.960	-0.849
H7	-1.584	-0.859	0.912
H8	1.968	-0.612	0.065
H9	0.729	-1.814	0.098

	C1	C2	N3	O4	H5	H6	H7	H8	H9
C1		1.5133	2.4248	2.3974	1.0846	1.0900	1.0902	3.3473	2.5833
C2	1.5133		1.3660	1.2085	2.1267	2.1538	2.1493	2.0408	2.0762
N3	2.4248	1.3660		2.2558	3.3245	2.6848	2.7466	1.0060	1.0034
O4	2.3974	1.2085	2.2558		2.5229	3.1234	3.0831	2.4885	3.1524
H5	1.0846	2.1267	3.3245	2.5229		1.7785	1.7759	4.1487	3.6314
H6	1.0900	2.1538	2.6848	3.1234	1.7785		1.7636	3.6589	2.6184
H7	1.0902	2.1493	2.7466	3.0831	1.7759	1.7636		3.6598	2.6312
H8	3.3473	2.0408	1.0060	2.4885	4.1487	3.6589	3.6598		1.7270
H9	2.5833	2.0762	1.0034	3.1524	3.6314	2.6184	2.6312	1.7270

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	114.642	C1	C2	O4	123.089
C2	C1	H5	108.774	C2	C1	H6	110.602
C2	C1	H7	110.230	C2	N3	H8	117.921
C2	N3	H9	121.637	N3	C2	O4	122.257
H5	C1	H6	109.744	H5	C1	H7	109.492
H6	C1	H7	107.987	H8	N3	H9	118.512

All results from a given calculation for CH₃CONH₂ (Acetamide)

using model chemistry: M06-2X/aug-cc-pVTZ

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	-0.663
2	C	0.638
3	N	-0.384
4	O	-0.719
5	H	0.232
6	H	0.272
7	H	0.277
8	H	0.187
9	H	0.160

	x	y	z	Total
	-0.378	-3.915	0.039	3.933
CHELPG
AIM
ESP

	x	y	z
x	6.142	-0.109	-0.007
y	-0.109	6.451	-0.001
z	-0.007	-0.001	4.390

<r²>	74.815
(<r²>)^1/2	8.650

All results from a given calculation for CH3CONH2 (Acetamide)

using model chemistry: M06-2X/aug-cc-pVTZ

States and conformations

All results from a given calculation for CH₃CONH₂ (Acetamide)