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	hartrees
Energy at 0K	-208.036744
Energy at 298.15K	-208.042658
Nuclear repulsion energy	122.898319

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3961	3598	49.64
2	A	3825	3475	48.93
3	A	3292	2991	12.84
4	A	3238	2942	23.76
5	A	3178	2887	9.09
6	A	1964	1785	468.61
7	A	1775	1613	121.59
8	A	1604	1457	9.09
9	A	1588	1443	10.19
10	A	1535	1394	86.54
11	A	1443	1311	139.66
12	A	1231	1119	0.89
13	A	1155	1050	7.62
14	A	1067	969	16.67
15	A	908	825	1.02
16	A	695	632	19.80
17	A	602	547	24.09
18	A	551	501	5.08
19	A	451	410	3.90
20	A	210	190	256.48
21	A	53	48	1.82

Atom	x (Å)	y (Å)	z (Å)
C1	-1.357	-0.324	-0.000
C2	0.078	0.155	-0.009
N3	1.014	-0.830	-0.028
O4	0.370	1.310	0.005
H5	-1.996	0.481	-0.334
H6	-1.496	-1.194	-0.633
H7	-1.634	-0.592	1.015
H8	1.966	-0.567	0.084
H9	0.771	-1.783	0.086

	C1	C2	N3	O4	H5	H6	H7	H8	H9
C1		1.5128	2.4249	2.3776	1.0802	1.0847	1.0864	3.3327	2.5813
C2	1.5128		1.3588	1.1920	2.1243	2.1648	2.1306	2.0231	2.0602
N3	2.4249	1.3588		2.2354	3.2972	2.6081	2.8566	0.9933	0.9908
O4	2.3776	1.1920	2.2354		2.5297	3.1874	2.9421	2.4654	3.1206
H5	1.0802	2.1243	3.2972	2.5297		1.7725	1.7614	4.1190	3.5992
H6	1.0847	2.1648	2.6081	3.1874	1.7725		1.7604	3.5907	2.4504
H7	1.0864	2.1306	2.8566	2.9421	1.7614	1.7604		3.7185	2.8397
H8	3.3327	2.0231	0.9933	2.4654	4.1190	3.5907	3.7185		1.7052
H9	2.5813	2.0602	0.9908	3.1206	3.5992	2.4504	2.8397	1.7052

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	115.116	C1	C2	O4	122.603
C2	C1	H5	108.872	C2	C1	H6	111.842
C2	C1	H7	109.009	C2	N3	H8	117.824
C2	N3	H9	121.739	N3	C2	O4	122.280
H5	C1	H6	109.926	H5	C1	H7	108.778
H6	C1	H7	108.360	H8	N3	H9	118.504

All results from a given calculation for CH₃CONH₂ (Acetamide)

using model chemistry: HF/6-311G**

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	-0.274
2	C	0.446
3	N	-0.524
4	O	-0.471
5	H	0.134
6	H	0.102
7	H	0.119
8	H	0.240
9	H	0.228

	x	y	z	Total
	-0.364	-3.970	0.398	4.007
CHELPG
AIM
ESP

	x	y	z
x	4.683	-0.028	0.006
y	-0.028	5.102	-0.006
z	0.006	-0.006	3.219

<r²>	74.054
(<r²>)^1/2	8.605

All results from a given calculation for CH3CONH2 (Acetamide)

using model chemistry: HF/6-311G**

States and conformations

All results from a given calculation for CH₃CONH₂ (Acetamide)