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	hartrees
Energy at 0K	-208.059441
Energy at 298.15K	-208.065533
Nuclear repulsion energy	120.592969

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3659	3519	22.04
2	A	3528	3394	20.92
3	A	3178	3057	5.66
4	A	3114	2996	12.96
5	A	3060	2943	5.83
6	A	1764	1697	221.84
7	A	1673	1609	65.17
8	A	1556	1497	10.23
9	A	1532	1474	15.52
10	A	1429	1375	29.21
11	A	1342	1291	172.02
12	A	1143	1100	0.23
13	A	1091	1049	13.28
14	A	1002	964	8.71
15	A	815	784	2.84
16	A	679	653	66.11
17	A	543	522	63.01
18	A	541	521	11.58
19	A	476	458	199.05
20	A	416	400	3.34
21	A	80	77	0.11

Atom	x (Å)	y (Å)	z (Å)
C1	1.389	-0.241	-0.000
C2	-0.090	0.155	-0.000
N3	-0.940	-0.923	0.000
O4	-0.490	1.326	0.000
H5	1.988	0.670	-0.000
H6	1.629	-0.835	0.889
H7	1.629	-0.835	-0.889
H8	-1.939	-0.753	-0.000
H9	-0.607	-1.879	0.000

	C1	C2	N3	O4	H5	H6	H7	H8	H9
C1		1.5307	2.4267	2.4463	1.0898	1.0960	1.0960	3.3672	2.5822
C2	1.5307		1.3733	1.2373	2.1401	2.1735	2.1735	2.0601	2.0988
N3	2.4267	1.3733		2.2939	3.3329	2.7195	2.7194	1.0139	1.0117
O4	2.4463	1.2373	2.2939		2.5628	3.1541	3.1542	2.5339	3.2070
H5	1.0898	2.1401	3.3329	2.5628		1.7844	1.7844	4.1764	3.6371
H6	1.0960	2.1735	2.7195	3.1541	1.7844		1.7782	3.6779	2.6228
H7	1.0960	2.1735	2.7194	3.1542	1.7844	1.7782		3.6778	2.6228
H8	3.3672	2.0601	1.0139	2.5339	4.1764	3.6779	3.6778		1.7443
H9	2.5822	2.0988	1.0117	3.2070	3.6371	2.6228	2.6228	1.7443

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	113.252	C1	C2	O4	123.859
C2	C1	H5	108.328	C2	C1	H6	110.583
C2	C1	H7	110.584	C2	N3	H8	118.540
C2	N3	H9	122.563	N3	C2	O4	122.889
H5	C1	H6	109.446	H5	C1	H7	109.448
H6	C1	H7	108.437	H8	N3	H9	118.897

All results from a given calculation for CH₃CONH₂ (Acetamide)

using model chemistry: B3LYP/3-21G*

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	-0.641
2	C	0.613
3	N	-0.747
4	O	-0.496
5	H	0.230
6	H	0.208
7	H	0.208
8	H	0.316
9	H	0.309

	x	y	z	Total
	0.269	-3.747	0.000	3.757
CHELPG
AIM
ESP

	x	y	z
x	4.465	0.036	0.000
y	0.036	4.978	-0.000
z	0.000	-0.000	2.412

<r²>	75.759
(<r²>)^1/2	8.704

All results from a given calculation for CH3CONH2 (Acetamide)

using model chemistry: B3LYP/3-21G*

States and conformations

All results from a given calculation for CH₃CONH₂ (Acetamide)