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	hartrees
Energy at 0K	-209.104245
Energy at 298.15K	-209.110235
HF Energy	-209.232491
Nuclear repulsion energy	121.536511

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3735	3604	30.20
2	A	3600	3474	28.60
3	A	3161	3051	6.52
4	A	3107	2998	12.67
5	A	3043	2937	6.56
6	A	1811	1748	289.84
7	A	1620	1563	90.46
8	A	1486	1434	6.69
9	A	1473	1421	8.54
10	A	1395	1346	69.16
11	A	1336	1290	97.86
12	A	1125	1086	0.49
13	A	1054	1017	4.25
14	A	976	942	8.27
15	A	837	808	2.51
16	A	648	626	9.48
17	A	551	532	15.42
18	A	518	499	4.33
19	A	414	400	3.80
20	A	205	198	193.94
21	A	51	49	0.19

Atom	x (Å)	y (Å)	z (Å)
C1	-1.375	-0.291	-0.000
C2	0.081	0.155	-0.006
N3	0.990	-0.870	-0.030
O4	0.420	1.320	0.005
H5	-2.004	0.562	-0.251
H6	-1.554	-1.104	-0.711
H7	-1.652	-0.649	0.997
H8	1.963	-0.636	0.083
H9	0.713	-1.828	0.093

	C1	C2	N3	O4	H5	H6	H7	H8	H9
C1		1.5227	2.4347	2.4124	1.0897	1.0942	1.0957	3.3568	2.5942
C2	1.5227		1.3698	1.2139	2.1386	2.1807	2.1577	2.0435	2.0833
N3	2.4347	1.3698		2.2631	3.3261	2.6440	2.8429	1.0072	1.0049
O4	2.4124	1.2139	2.2631		2.5528	3.2074	3.0263	2.4928	3.1629
H5	1.0897	2.1386	3.3261	2.5528		1.7861	1.7754	4.1576	3.6352
H6	1.0942	2.1807	2.6440	3.2074	1.7861		1.7703	3.6359	2.5121
H7	1.0957	2.1577	2.8429	3.0263	1.7754	1.7703		3.7286	2.7926
H8	3.3568	2.0435	1.0072	2.4928	4.1576	3.6359	3.7286		1.7269
H9	2.5942	2.0833	1.0049	3.1629	3.6352	2.5121	2.7926	1.7269

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	114.342	C1	C2	O4	123.155
C2	C1	H5	108.662	C2	C1	H6	112.012
C2	C1	H7	109.940	C2	N3	H8	117.694
C2	N3	H9	122.095	N3	C2	O4	122.500
H5	C1	H6	109.702	H5	C1	H7	108.657
H6	C1	H7	107.813	H8	N3	H9	118.106

All results from a given calculation for CH₃CONH₂ (Acetamide)

using model chemistry: G4

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	-0.480
2	C	0.395
3	N	-0.504
4	O	-0.347
5	H	0.152
6	H	0.129
7	H	0.141
8	H	0.260
9	H	0.255

	x	y	z	Total
	-0.214	-3.610	0.363	3.634
CHELPG
AIM
ESP

	x	y	z
x	0.000	0.000	0.000
y	0.000	0.000	0.000
z	0.000	0.000	0.000

<r²>	74.941
(<r²>)^1/2	8.657

All results from a given calculation for CH3CONH2 (Acetamide)

using model chemistry: G4

States and conformations

All results from a given calculation for CH₃CONH₂ (Acetamide)