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	hartrees
Energy at 0K	-40.218280
Energy at 298.15K	-40.223964
Nuclear repulsion energy	67.749933

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3698	3585	18.97
2	A	3563	3454	20.25
3	A	3123	3027	16.38
4	A	3109	3014	24.31
5	A	3035	2942	12.66
6	A	1751	1697	358.47
7	A	1635	1585	84.78
8	A	1500	1454	8.45
9	A	1483	1438	8.18
10	A	1407	1364	50.57
11	A	1326	1286	139.56
12	A	1118	1084	0.28
13	A	1050	1018	3.52
14	A	975	945	12.66
15	A	828	802	2.18
16	A	649	629	15.22
17	A	535	519	16.94
18	A	505	490	9.84
19	A	420	407	4.27
20	A	215	209	238.93
21	A	46	44	7.18

Atom	x (Å)	y (Å)	z (Å)
C1	-1.359	-0.356	-0.000
C2	0.080	0.175	-0.005
N3	1.074	-0.786	-0.046
O4	0.336	1.378	0.007
H5	-1.919	0.153	-0.791
H6	-1.429	-1.440	-0.148
H7	-1.825	-0.094	0.957
H8	2.028	-0.468	0.075
H9	0.875	-1.764	0.117

	C1	C2	N3	O4	H5	H6	H7	H8	H9
C1		1.5340	2.4704	2.4250	1.0948	1.0962	1.0965	3.3900	2.6426
C2	1.5340		1.3830	1.2292	2.1480	2.2155	2.1513	2.0535	2.0992
N3	2.4704	1.3830		2.2860	3.2235	2.5888	3.1447	1.0136	1.0112
O4	2.4250	1.2292	2.2860		2.6875	3.3289	2.7821	2.5047	3.1889
H5	1.0948	2.1480	3.2235	2.6875		1.7866	1.7673	4.0886	3.5076
H6	1.0962	2.2155	2.5888	3.3289	1.7866		1.7863	3.5986	2.3415
H7	1.0965	2.1513	3.1447	2.7821	1.7673	1.7863		3.9712	3.2841
H8	3.3900	2.0535	1.0136	2.5047	4.0886	3.5986	3.9712		1.7354
H9	2.6426	2.0992	1.0112	3.1889	3.5076	2.3415	3.2841	1.7354

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	115.657	C1	C2	O4	122.325
C2	C1	H5	108.435	C2	C1	H6	113.736
C2	C1	H7	108.594	C2	N3	H8	117.087
C2	N3	H9	121.740	N3	C2	O4	122.010
H5	C1	H6	109.262	H5	C1	H7	107.520
H6	C1	H7	109.111	H8	N3	H9	117.971

All results from a given calculation for CH₃CONH₂ (Acetamide)

using model chemistry: B3LYP/CEP-121G*

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	-0.636
2	C	0.284
3	N	-0.567
4	O	-0.315
5	H	0.198
6	H	0.156
7	H	0.194
8	H	0.345
9	H	0.340

	x	y	z	Total
	-0.036	-3.852	0.460	3.879
CHELPG
AIM
ESP

	x	y	z
x	5.659	-0.201	-0.000
y	-0.201	5.818	-0.003
z	-0.000	-0.003	3.607

<r²>	64.855
(<r²>)^1/2	8.053

All results from a given calculation for CH3CONH2 (Acetamide)

using model chemistry: B3LYP/CEP-121G*

States and conformations

All results from a given calculation for CH₃CONH₂ (Acetamide)