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	hartrees
Energy at 0K	-208.990661
Energy at 298.15K	-208.996444
HF Energy	-208.793083
Nuclear repulsion energy	121.292412

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3743	3553	31.93
2	A	3614	3430	33.62
3	A	3206	3043	6.95
4	A	3163	3002	14.84
5	A	3093	2936	6.27
6	A	1813	1721	285.87
7	A	1663	1578	92.32
8	A	1537	1459	7.79
9	A	1524	1447	8.25
10	A	1446	1372	60.77
11	A	1373	1304	112.54
12	A	1149	1091	0.33
13	A	1081	1026	6.48
14	A	1003	952	8.04
15	A	860	816	2.18
16	A	659	626	20.37
17	A	554	526	18.74
18	A	514	488	9.05
19	A	424	403	4.37
20	A	255	242	255.37
21	A	46	44	2.93

Atom	x (Å)	y (Å)	z (Å)
C1	-1.375	-0.291	0.000
C2	0.082	0.156	0.001
N3	0.987	-0.877	-0.031
O4	0.422	1.328	0.004
H5	-2.007	0.593	-0.059
H6	-1.586	-0.946	-0.850
H7	-1.613	-0.843	0.915
H8	1.964	-0.645	0.068
H9	0.712	-1.837	0.107

	C1	C2	N3	O4	H5	H6	H7	H8	H9
C1		1.5234	2.4338	2.4188	1.0884	1.0944	1.0946	3.3587	2.5992
C2	1.5234		1.3737	1.2208	2.1348	2.1726	2.1690	2.0469	2.0924
N3	2.4338	1.3737		2.2763	3.3356	2.7011	2.7672	1.0095	1.0080
O4	2.4188	1.2208	2.2763		2.5389	3.1523	3.1120	2.5046	3.1796
H5	1.0884	2.1348	3.3356	2.5389		1.7815	1.7793	4.1618	3.6502
H6	1.0944	2.1726	2.7011	3.1523	1.7815		1.7683	3.6797	2.6435
H7	1.0946	2.1690	2.7672	3.1120	1.7793	1.7683		3.6816	2.6545
H8	3.3587	2.0469	1.0095	2.5046	4.1618	3.6797	3.6816		1.7296
H9	2.5992	2.0924	1.0080	3.1796	3.6502	2.6435	2.6545	1.7296

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	114.194	C1	C2	O4	123.253
C2	C1	H5	108.495	C2	C1	H6	111.125
C2	C1	H7	110.821	C2	N3	H8	117.570
C2	N3	H9	122.180	N3	C2	O4	122.539
H5	C1	H6	109.408	H5	C1	H7	109.194
H6	C1	H7	107.772	H8	N3	H9	118.026

All results from a given calculation for CH₃CONH₂ (Acetamide)

using model chemistry: B2PLYP/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	-0.557
2	C	0.572
3	N	-0.765
4	O	-0.486
5	H	0.196
6	H	0.160
7	H	0.185
8	H	0.352
9	H	0.344

	x	y	z	Total
	-0.201	-3.675	0.562	3.723
CHELPG
AIM
ESP

	x	y	z
x	4.884	-0.143	-0.001
y	-0.143	5.359	-0.005
z	-0.001	-0.005	2.923

<r²>	75.252
(<r²>)^1/2	8.675

All results from a given calculation for CH3CONH2 (Acetamide)

using model chemistry: B2PLYP/6-31G*

States and conformations

All results from a given calculation for CH₃CONH₂ (Acetamide)