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	hartrees
Energy at 0K	-209.138289
Energy at 298.15K	-209.143940
HF Energy	-209.138289
Nuclear repulsion energy	120.117958

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3592	3563	14.46
2	A	3467	3439	12.89
3	A	3063	3038	13.55
4	A	3051	3026	19.47
5	A	2985	2960	10.40
6	A	1735	1721	262.46
7	A	1598	1585	72.81
8	A	1481	1469	6.05
9	A	1467	1455	4.98
10	A	1384	1372	24.23
11	A	1304	1294	138.37
12	A	1101	1092	0.11
13	A	1035	1027	6.13
14	A	958	950	8.30
15	A	809	803	3.87
16	A	652	646	17.16
17	A	525	521	14.80
18	A	500	496	9.73
19	A	416	413	4.12
20	A	218	216	219.37
21	A	51	50	4.61

Atom	x (Å)	y (Å)	z (Å)
C1	-1.390	-0.292	0.000
C2	0.084	0.158	0.000
N3	0.998	-0.884	-0.031
O4	0.428	1.338	0.004
H5	-2.029	0.597	-0.061
H6	-1.609	-0.954	-0.855
H7	-1.636	-0.849	0.921
H8	1.984	-0.652	0.067
H9	0.723	-1.854	0.104

	C1	C2	N3	O4	H5	H6	H7	H8	H9
C1		1.5410	2.4603	2.4419	1.0966	1.1034	1.1037	3.3937	2.6299
C2	1.5410		1.3866	1.2292	2.1587	2.1986	2.1951	2.0666	2.1138
N3	2.4603	1.3866		2.2944	3.3699	2.7348	2.8006	1.0179	1.0169
O4	2.4419	1.2292	2.2944		2.5671	3.1847	3.1437	2.5266	3.2072
H5	1.0966	2.1587	3.3699	2.5671		1.7928	1.7912	4.2046	3.6891
H6	1.1034	2.1986	2.7348	3.1847	1.7928		1.7790	3.7216	2.6774
H7	1.1037	2.1951	2.8006	3.1437	1.7912	1.7790		3.7244	2.6912
H8	3.3937	2.0666	1.0179	2.5266	4.2046	3.7216	3.7244		1.7425
H9	2.6299	2.1138	1.0169	3.2072	3.6891	2.6774	2.6912	1.7425

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	114.258	C1	C2	O4	123.252
C2	C1	H5	108.683	C2	C1	H6	111.421
C2	C1	H7	111.123	C2	N3	H8	117.697
C2	N3	H9	122.403	N3	C2	O4	122.479
H5	C1	H6	109.152	H5	C1	H7	108.992
H6	C1	H7	107.424	H8	N3	H9	117.812

All results from a given calculation for CH₃CONH₂ (Acetamide)

using model chemistry: BLYP/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	-0.487
2	C	0.536
3	N	-0.674
4	O	-0.464
5	H	0.172
6	H	0.126
7	H	0.168
8	H	0.315
9	H	0.308

	x	y	z	Total
	-0.057	-3.525	0.455	3.555
CHELPG
AIM
ESP

	x	y	z
x	5.364	-0.242	0.010
y	-0.242	5.564	-0.014
z	0.010	-0.014	2.971

<r²>	76.465
(<r²>)^1/2	8.744

All results from a given calculation for CH3CONH2 (Acetamide)

using model chemistry: BLYP/6-31G*

States and conformations

All results from a given calculation for CH₃CONH₂ (Acetamide)