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	hartrees
Energy at 0K	-208.981169
Energy at 298.15K	-208.986789
Nuclear repulsion energy	120.865490

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3655	3618	23.76
2	A	3516	3480	19.05
3	A	3102	3070	6.14
4	A	3061	3030	11.62
5	A	2987	2956	6.27
6	A	1760	1742	254.74
7	A	1563	1547	86.03
8	A	1437	1422	7.28
9	A	1421	1407	7.34
10	A	1342	1328	86.13
11	A	1296	1283	63.63
12	A	1086	1075	0.15
13	A	1008	998	4.32
14	A	940	930	4.50
15	A	821	813	3.50
16	A	644	638	7.93
17	A	530	525	13.94
18	A	498	493	5.52
19	A	405	400	3.91
20	A	211	209	179.59
21	A	42	42	2.17

Atom	x (Å)	y (Å)	z (Å)
C1	-1.376	-0.302	-0.001
C2	0.081	0.153	-0.008
N3	1.000	-0.871	-0.033
O4	0.414	1.331	0.005
H5	-1.985	0.463	-0.502
H6	-1.529	-1.276	-0.491
H7	-1.728	-0.383	1.041
H8	1.976	-0.625	0.095
H9	0.729	-1.837	0.100

	C1	C2	N3	O4	H5	H6	H7	H8	H9
C1		1.5263	2.4433	2.4229	1.0979	1.1012	1.1028	3.3689	2.6078
C2	1.5263		1.3756	1.2244	2.1460	2.2056	2.1586	2.0508	2.0958
N3	2.4433	1.3756		2.2784	3.3021	2.6014	2.9716	1.0146	1.0126
O4	2.4229	1.2244	2.2784		2.6007	3.2886	2.9322	2.5043	3.1853
H5	1.0979	2.1460	3.3021	2.6007		1.7972	1.7782	4.1500	3.6078
H6	1.1012	2.2056	2.6014	3.2886	1.7972		1.7849	3.6123	2.4006
H7	1.1028	2.1586	2.9716	2.9322	1.7782	1.7849		3.8303	3.0062
H8	3.3689	2.0508	1.0146	2.5043	4.1500	3.6123	3.8303		1.7392
H9	2.6078	2.0958	1.0126	3.1853	3.6078	2.4006	3.0062	1.7392

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	114.597	C1	C2	O4	123.106
C2	C1	H5	108.629	C2	C1	H6	113.167
C2	C1	H7	109.321	C2	N3	H8	117.393
C2	N3	H9	121.962	N3	C2	O4	122.297
H5	C1	H6	109.622	H5	C1	H7	107.808
H6	C1	H7	108.160	H8	N3	H9	118.172

All results from a given calculation for CH₃CONH₂ (Acetamide)

using model chemistry: PBEPBE/6-31G(2df,p)

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	-0.512
2	C	0.377
3	N	-0.504
4	O	-0.325
5	H	0.163
6	H	0.129
7	H	0.158
8	H	0.259
9	H	0.255

	x	y	z	Total
	-0.117	-3.503	0.403	3.528
CHELPG
AIM
ESP

	x	y	z
x	5.627	-0.179	0.009
y	-0.179	5.707	-0.011
z	0.009	-0.011	3.401

<r²>	0.000
(<r²>)^1/2	0.000

All results from a given calculation for CH3CONH2 (Acetamide)

using model chemistry: PBEPBE/6-31G(2df,p)

States and conformations

All results from a given calculation for CH₃CONH₂ (Acetamide)