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	hartrees
Energy at 0K	-209.167751
Energy at 298.15K
HF Energy	-209.167751
Nuclear repulsion energy	121.597591

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3797	3617	49.26
2	A	3651	3478	43.73
3	A	3178	3027	5.62
4	A	3170	3020	14.74
5	A	3081	2935	8.45
6	A	1816	1730	428.70
7	A	1640	1562	128.73
8	A	1505	1434	14.81
9	A	1488	1417	9.27
10	A	1421	1354	85.30
11	A	1368	1304	104.42
12	A	1132	1078	0.90
13	A	1066	1015	5.25
14	A	1000	952	9.68
15	A	860	819	1.31
16	A	670	638	12.24
17	A	552	526	13.40
18	A	527	502	8.94
19	A	441	420	4.64
20	A	235	224	234.21
21	A	14i	13i	3.06

Atom	x (Å)	y (Å)	z (Å)
C1	-1.372	-0.302	-0.000
C2	0.078	0.153	0.001
N3	0.999	-0.861	-0.029
O4	0.406	1.325	0.004
H5	-2.015	0.575	-0.062
H6	-1.573	-0.962	-0.850
H7	-1.602	-0.853	0.918
H8	1.974	-0.618	0.062
H9	0.734	-1.824	0.096

	C1	C2	N3	O4	H5	H6	H7	H8	H9
C1		1.5200	2.4362	2.4101	1.0891	1.0946	1.0948	3.3612	2.6005
C2	1.5200		1.3706	1.2167	2.1358	2.1669	2.1623	2.0474	2.0860
N3	2.4362	1.3706		2.2658	3.3386	2.7018	2.7679	1.0087	1.0067
O4	2.4101	1.2167	2.2658		2.5349	3.1427	3.1001	2.4975	3.1681
H5	1.0891	2.1358	3.3386	2.5349		1.7827	1.7802	4.1648	3.6522
H6	1.0946	2.1669	2.7018	3.1427	1.7827		1.7711	3.6782	2.6386
H7	1.0948	2.1623	2.7679	3.1001	1.7802	1.7711		3.6843	2.6601
H8	3.3612	2.0474	1.0087	2.4975	4.1648	3.6782	3.6843		1.7301
H9	2.6005	2.0860	1.0067	3.1681	3.6522	2.6386	2.6601	1.7301

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	114.775	C1	C2	O4	123.058
C2	C1	H5	108.767	C2	C1	H6	110.894
C2	C1	H7	110.521	C2	N3	H8	117.944
C2	N3	H9	121.932	N3	C2	O4	122.154
H5	C1	H6	109.444	H5	C1	H7	109.207
H6	C1	H7	107.984	H8	N3	H9	118.285

All results from a given calculation for CH₃CONH₂ (Acetamide)

using model chemistry: wB97X-D/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
1	C	-0.481
2	C	0.409
3	N	-0.601
4	O	-0.520
5	H	0.201
6	H	0.144
7	H	0.200
8	H	0.334
9	H	0.315

	x	y	z	Total
	-0.219	-4.079	0.039	4.085
CHELPG
AIM
ESP

	x	y	z
x	5.627	-0.216	-0.020
y	-0.216	6.111	-0.001
z	-0.020	-0.001	3.972

<r²>	75.331
(<r²>)^1/2	8.679

All results from a given calculation for CH3CONH2 (Acetamide)

using model chemistry: wB97X-D/cc-pVDZ

States and conformations

All results from a given calculation for CH₃CONH₂ (Acetamide)