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	hartrees
Energy at 0K	-207.997152
Energy at 298.15K	-208.003268
Nuclear repulsion energy	122.627897

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3938	3575	47.72
2	A	3802	3452	42.56
3	A	3321	3015	8.98
4	A	3262	2962	17.67
5	A	3191	2897	8.99
6	A	1983	1800	438.20
7	A	1757	1595	114.58
8	A	1582	1437	7.94
9	A	1568	1424	10.13
10	A	1528	1387	105.76
11	A	1437	1304	103.56
12	A	1235	1122	1.44
13	A	1148	1043	9.30
14	A	1059	962	11.91
15	A	916	832	1.15
16	A	686	623	29.86
17	A	606	551	26.80
18	A	542	492	16.80
19	A	449	407	7.47
20	A	348	316	235.00
21	A	73	66	0.13

Atom	x (Å)	y (Å)	z (Å)
C1	-1.360	-0.311	-0.000
C2	0.078	0.155	-0.005
N3	1.006	-0.844	-0.054
O4	0.386	1.309	0.009
H5	-2.012	0.549	-0.129
H6	-1.537	-1.034	-0.798
H7	-1.589	-0.794	0.953
H8	1.953	-0.576	0.123
H9	0.749	-1.776	0.189

	C1	C2	N3	O4	H5	H6	H7	H8	H9
C1		1.5116	2.4265	2.3820	1.0863	1.0912	1.0927	3.3266	2.5754
C2	1.5116		1.3644	1.1948	2.1300	2.1558	2.1441	2.0171	2.0535
N3	2.4265	1.3644		2.2412	3.3247	2.6561	2.7843	0.9998	0.9974
O4	2.3820	1.1948	2.2412		2.5193	3.1366	3.0359	2.4543	3.1117
H5	1.0863	2.1300	3.3247	2.5193		1.7831	1.7759	4.1293	3.6234
H6	1.0912	2.1558	2.6561	3.1366	1.7831		1.7677	3.6381	2.5977
H7	1.0927	2.1441	2.7843	3.0359	1.7759	1.7677		3.6449	2.6484
H8	3.3266	2.0171	0.9998	2.4543	4.1293	3.6381	3.6449		1.7012
H9	2.5754	2.0535	0.9974	3.1117	3.6234	2.5977	2.6484	1.7012

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	114.974	C1	C2	O4	122.890
C2	C1	H5	109.045	C2	C1	H6	110.804
C2	C1	H7	109.786	C2	N3	H8	116.268
C2	N3	H9	119.996	N3	C2	O4	122.124
H5	C1	H6	109.943	H5	C1	H7	109.170
H6	C1	H7	108.071	H8	N3	H9	116.819

All results from a given calculation for CH₃CONH₂ (Acetamide)

using model chemistry: HF/cc-pVDZ

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	CHELPG
1	C	-0.044	-0.352
2	C	0.235	0.877
3	N	-0.226	-0.948
4	O	-0.374	-0.632
5	H	0.066	0.098
6	H	0.053	0.105
7	H	0.054	0.083
8	H	0.124	0.393
9	H	0.112	0.375

	x	y	z	Total
	-0.421	-3.802	0.660	3.882
CHELPG
AIM
ESP

	x	y	z
x	4.618	-0.004	0.019
y	-0.004	4.982	-0.024
z	0.019	-0.024	3.049

<r²>	74.151
(<r²>)^1/2	8.611

All results from a given calculation for CH3CONH2 (Acetamide)

using model chemistry: HF/cc-pVDZ

States and conformations

All results from a given calculation for CH₃CONH₂ (Acetamide)