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	hartrees
Energy at 0K	-209.028013
Energy at 298.15K	-209.033553
Nuclear repulsion energy	120.905426

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3650	3617	25.03
2	A	3512	3480	19.05
3	A	3068	3040	6.81
4	A	3066	3038	18.58
5	A	2985	2958	9.85
6	A	1741	1725	302.64
7	A	1568	1554	99.13
8	A	1443	1430	10.70
9	A	1421	1408	8.94
10	A	1346	1334	74.72
11	A	1305	1293	89.24
12	A	1084	1075	0.22
13	A	1012	1003	4.54
14	A	946	937	6.25
15	A	821	813	3.32
16	A	664	658	9.84
17	A	525	520	12.43
18	A	508	504	9.12
19	A	416	413	4.34
20	A	175	173	181.83
21	A	10	10	10.96

Atom	x (Å)	y (Å)	z (Å)
C1	-1.366	-0.344	0.000
C2	0.077	0.148	-0.001
N3	1.033	-0.837	0.005
O4	0.363	1.340	-0.001
H5	-1.877	0.082	-0.875
H6	-1.477	-1.438	-0.017
H7	-1.868	0.053	0.894
H8	2.008	-0.554	-0.008
H9	0.809	-1.824	-0.018

	C1	C2	N3	O4	H5	H6	H7	H8	H9
C1		1.5244	2.4494	2.4127	1.0992	1.0997	1.0994	3.3804	2.6304
C2	1.5244		1.3725	1.2257	2.1420	2.2199	2.1432	2.0542	2.1028
N3	2.4494	1.3725		2.2777	3.1764	2.5809	3.1622	1.0151	1.0124
O4	2.4127	1.2257	2.2777		2.7134	3.3311	2.7262	2.5084	3.1948
H5	1.0992	2.1420	3.1764	2.7134		1.7904	1.7694	4.0311	3.4029
H6	1.0997	2.2199	2.5809	3.3311	1.7904		1.7903	3.5950	2.3175
H7	1.0994	2.1432	3.1622	2.7262	1.7694	1.7903		4.0255	3.3936
H8	3.3804	2.0542	1.0151	2.5084	4.0311	3.5950	4.0255		1.7471
H9	2.6304	2.1028	1.0124	3.1948	3.4029	2.3175	3.3936	1.7471

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	115.355	C1	C2	O4	122.264
C2	C1	H5	108.368	C2	C1	H6	114.576
C2	C1	H7	108.451	C2	N3	H8	117.941
C2	N3	H9	122.992	N3	C2	O4	122.380
H5	C1	H6	109.020	H5	C1	H7	107.178
H6	C1	H7	108.997	H8	N3	H9	119.016

All results from a given calculation for CH₃CONH₂ (Acetamide)

using model chemistry: PBEPBE/6-311G**

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	-0.361
2	C	0.269
3	N	-0.435
4	O	-0.333
5	H	0.152
6	H	0.108
7	H	0.153
8	H	0.227
9	H	0.220

	x	y	z	Total
	0.034	-3.652	-0.048	3.652
CHELPG
AIM
ESP

	x	y	z
x	5.868	-0.241	-0.002
y	-0.241	5.829	0.002
z	-0.002	0.002	3.425

<r²>	75.822
(<r²>)^1/2	8.708

All results from a given calculation for CH3CONH2 (Acetamide)

using model chemistry: PBEPBE/6-311G**

States and conformations

All results from a given calculation for CH₃CONH₂ (Acetamide)