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	hartrees
Energy at 0K	-208.206930
Energy at 298.15K	-208.212801
HF Energy	-208.206930
Nuclear repulsion energy	122.120901

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3640	3598	44.09
2	A	3501	3461	35.35
3	A	3080	3045	9.74
4	A	3079	3043	0.22
5	A	2990	2956	4.61
6	A	1771	1750	341.61
7	A	1549	1531	146.83
8	A	1431	1414	23.92
9	A	1396	1380	12.41
10	A	1347	1331	135.80
11	A	1313	1298	9.10
12	A	1083	1070	0.77
13	A	1008	996	6.64
14	A	947	936	3.56
15	A	851	841	1.95
16	A	666	658	13.66
17	A	534	527	12.15
18	A	515	509	13.62
19	A	424	419	4.98
20	A	332	328	199.61
21	A	59	58	4.33

Atom	x (Å)	y (Å)	z (Å)
C1	-1.345	-0.339	0.000
C2	0.073	0.142	0.000
N3	1.020	-0.826	-0.000
O4	0.358	1.326	-0.000
H5	-1.853	0.073	-0.883
H6	-1.453	-1.433	-0.001
H7	-1.853	0.071	0.884
H8	1.995	-0.538	0.000
H9	0.793	-1.814	0.000

	C1	C2	N3	O4	H5	H6	H7	H8	H9
C1		1.4979	2.4150	2.3818	1.0988	1.0988	1.0988	3.3465	2.5975
C2	1.4979		1.3542	1.2175	2.1205	2.1932	2.1206	2.0388	2.0843
N3	2.4150	1.3542		2.2515	3.1377	2.5468	3.1373	1.0168	1.0138
O4	2.3818	1.2175	2.2515		2.6907	3.3000	2.6913	2.4809	3.1699
H5	1.0988	2.1205	3.1377	2.6907		1.7901	1.7665	3.9958	3.3679
H6	1.0988	2.1932	2.5468	3.3000	1.7901		1.7902	3.5628	2.2784
H7	1.0988	2.1206	3.1373	2.6913	1.7665	1.7902		3.9954	3.3672
H8	3.3465	2.0388	1.0168	2.4809	3.9958	3.5628	3.9954		1.7533
H9	2.5975	2.0843	1.0138	3.1699	3.3679	2.2784	3.3672	1.7533

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	115.629	C1	C2	O4	122.260
C2	C1	H5	108.516	C2	C1	H6	114.383
C2	C1	H7	108.525	C2	N3	H8	117.910
C2	N3	H9	122.680	N3	C2	O4	122.111
H5	C1	H6	109.082	H5	C1	H7	106.990
H6	C1	H7	109.091	H8	N3	H9	119.411

All results from a given calculation for CH₃CONH₂ (Acetamide)

using model chemistry: SVWN/TZVP

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	-0.568
2	C	0.243
3	N	-0.445
4	O	-0.310
5	H	0.200
6	H	0.145
7	H	0.200
8	H	0.270
9	H	0.265

	x	y	z	Total
	-0.100	-3.931	0.001	3.932
CHELPG
AIM
ESP

	x	y	z
x	6.035	-0.256	0.000
y	-0.256	6.257	0.000
z	0.000	0.000	3.922

<r²>	74.699
(<r²>)^1/2	8.643

All results from a given calculation for CH3CONH2 (Acetamide)

using model chemistry: SVWN/TZVP

States and conformations

All results from a given calculation for CH₃CONH₂ (Acetamide)