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	hartrees
Energy at 0K	-209.167093
Energy at 298.15K	-209.172694
Nuclear repulsion energy	120.115091

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3627	3608	28.35
2	A	3486	3468	20.43
3	A	3056	3040	5.36
4	A	3054	3038	21.63
5	A	2980	2964	13.04
6	A	1688	1679	372.36
7	A	1577	1569	80.90
8	A	1457	1449	7.89
9	A	1441	1434	8.08
10	A	1363	1356	34.28
11	A	1292	1285	154.37
12	A	1081	1075	0.43
13	A	1023	1017	2.33
14	A	952	947	12.79
15	A	808	803	2.48
16	A	647	643	7.59
17	A	523	521	10.62
18	A	507	504	8.31
19	A	419	417	4.43
20	A	185	184	207.77
21	A	45	44	3.00

Atom	x (Å)	y (Å)	z (Å)
C1	-1.378	-0.346	-0.000
C2	0.074	0.145	-0.000
N3	1.044	-0.839	-0.000
O4	0.365	1.348	0.000
H5	-1.887	0.062	-0.887
H6	-1.479	-1.442	-0.001
H7	-1.887	0.061	0.888
H8	2.021	-0.554	0.000
H9	0.824	-1.831	0.000

	C1	C2	N3	O4	H5	H6	H7	H8	H9
C1		1.5326	2.4721	2.4309	1.1007	1.1010	1.1007	3.4060	2.6560
C2	1.5326		1.3819	1.2384	2.1537	2.2204	2.1537	2.0692	2.1130
N3	2.4721	1.3819		2.2907	3.1923	2.5945	3.1918	1.0179	1.0155
O4	2.4309	1.2384	2.2907		2.7410	3.3450	2.7415	2.5227	3.2120
H5	1.1007	2.1537	3.1923	2.7410		1.7927	1.7743	4.0549	3.4232
H6	1.1010	2.2204	2.5945	3.3450	1.7927		1.7927	3.6115	2.3359
H7	1.1007	2.1537	3.1918	2.7415	1.7743	1.7927		4.0545	3.4224
H8	3.4060	2.0692	1.0179	2.5227	4.0549	3.6115	4.0545		1.7500
H9	2.6560	2.1130	1.0155	3.2120	3.4232	2.3359	3.4224	1.7500

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	115.935	C1	C2	O4	122.267
C2	C1	H5	108.626	C2	C1	H6	113.936
C2	C1	H7	108.626	C2	N3	H8	118.350
C2	N3	H9	122.881	N3	C2	O4	121.799
H5	C1	H6	109.023	H5	C1	H7	107.410
H6	C1	H7	109.021	H8	N3	H9	118.770

All results from a given calculation for CH₃CONH₂ (Acetamide)

using model chemistry: BLYP/6-31+G**

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	-0.455
2	C	0.371
3	N	-0.511
4	O	-0.489
5	H	0.183
6	H	0.129
7	H	0.183
8	H	0.303
9	H	0.285

	x	y	z	Total
	-0.176	-3.951	0.000	3.955
CHELPG
AIM
ESP

<r²>	77.209
(<r²>)^1/2	8.787

All results from a given calculation for CH3CONH2 (Acetamide)

using model chemistry: BLYP/6-31+G**

States and conformations

All results from a given calculation for CH₃CONH₂ (Acetamide)