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	hartrees
Energy at 0K	-208.054761
Energy at 298.15K	-208.060641
HF Energy	-208.054761
Nuclear repulsion energy	122.974212

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3967	3604	57.15
2	A	3827	3477	56.00
3	A	3285	2984	12.72
4	A	3251	2954	22.08
5	A	3188	2896	8.48
6	A	1938	1761	504.94
7	A	1775	1613	120.06
8	A	1611	1463	10.64
9	A	1592	1447	8.42
10	A	1535	1395	69.21
11	A	1446	1314	168.76
12	A	1228	1115	0.97
13	A	1158	1052	7.30
14	A	1076	977	20.65
15	A	904	821	1.32
16	A	702	638	18.46
17	A	600	545	19.69
18	A	557	506	4.44
19	A	463	421	4.31
20	A	186	169	255.98
21	A	44	40	6.61

Atom	x (Å)	y (Å)	z (Å)
C1	-1.353	-0.343	-0.001
C2	0.077	0.149	-0.009
N3	1.030	-0.813	-0.008
O4	0.348	1.312	0.001
H5	-1.949	0.312	-0.620
H6	-1.450	-1.363	-0.348
H7	-1.729	-0.282	1.015
H8	1.982	-0.536	0.042
H9	0.809	-1.777	0.014

	C1	C2	N3	O4	H5	H6	H7	H8	H9
C1		1.5124	2.4288	2.3726	1.0802	1.0826	1.0843	3.3406	2.5943
C2	1.5124		1.3539	1.1935	2.1223	2.1759	2.1202	2.0247	2.0605
N3	2.4288	1.3539		2.2311	3.2422	2.5627	2.9895	0.9927	0.9895
O4	2.3726	1.1935	2.2311		2.5806	3.2419	2.8070	2.4666	3.1227
H5	1.0802	2.1223	3.2422	2.5806		1.7693	1.7528	4.0752	3.5171
H6	1.0826	2.1759	2.5627	3.2419	1.7693		1.7617	3.5515	2.3245
H7	1.0843	2.1202	2.9895	2.8070	1.7528	1.7617		3.8442	3.1103
H8	3.3406	2.0247	0.9927	2.4666	4.0752	3.5515	3.8442		1.7080
H9	2.5943	2.0605	0.9895	3.1227	3.5171	2.3245	3.1103	1.7080

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	115.744	C1	C2	O4	122.084
C2	C1	H5	108.746	C2	C1	H6	112.919
C2	C1	H7	108.348	C2	N3	H8	118.466
C2	N3	H9	122.353	N3	C2	O4	122.165
H5	C1	H6	109.775	H5	C1	H7	108.156
H6	C1	H7	108.780	H8	N3	H9	119.009

All results from a given calculation for CH₃CONH₂ (Acetamide)

using model chemistry: HF/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	-0.280
2	C	0.366
3	N	-0.445
4	O	-0.459
5	H	0.121
6	H	0.078
7	H	0.120
8	H	0.257
9	H	0.241

	x	y	z	Total
	-0.361	-4.141	0.145	4.159
CHELPG
AIM
ESP

	x	y	z
x	4.866	-0.103	-0.015
y	-0.103	5.394	-0.004
z	-0.015	-0.004	3.551

<r²>	74.165
(<r²>)^1/2	8.612

All results from a given calculation for CH3CONH2 (Acetamide)

using model chemistry: HF/TZVP

States and conformations

All results from a given calculation for CH₃CONH₂ (Acetamide)