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	hartrees
Energy at 0K	-40.093350
Energy at 298.15K	-40.099405
Nuclear repulsion energy	67.226862

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3801	3640	30.79
2	A	3640	3485	38.12
3	A	3192	3056	34.29
4	A	3189	3054	14.74
5	A	3089	2958	10.33
6	A	1708	1635	370.10
7	A	1644	1574	75.55
8	A	1503	1439	16.11
9	A	1477	1415	14.04
10	A	1427	1366	95.96
11	A	1384	1325	128.43
12	A	1117	1069	2.09
13	A	1076	1030	20.38
14	A	1002	959	5.71
15	A	863	826	0.11
16	A	696	667	180.00
17	A	574	550	174.09
18	A	523	501	12.61
19	A	510	489	26.89
20	A	418	400	5.00
21	A	35	33	3.36

Atom	x (Å)	y (Å)	z (Å)
C1	1.387	-0.327	-0.000
C2	-0.073	0.139	-0.000
N3	-1.031	-0.863	0.000
O4	-0.394	1.357	0.000
H5	1.891	0.082	0.888
H6	1.492	-1.423	-0.001
H7	1.892	0.084	-0.887
H8	-2.007	-0.588	0.000
H9	-0.793	-1.846	-0.000

	C1	C2	N3	O4	H5	H6	H7	H8	H9
C1		1.5325	2.4765	2.4517	1.1003	1.1005	1.1002	3.4039	2.6576
C2	1.5325		1.3862	1.2600	2.1562	2.2108	2.1562	2.0662	2.1119
N3	2.4765	1.3862		2.3097	3.1969	2.5842	3.1977	1.0140	1.0113
O4	2.4517	1.2600	2.3097		2.7636	3.3595	2.7628	2.5270	3.2282
H5	1.1003	2.1562	3.1969	2.7636		1.7930	1.7750	4.0537	3.4228
H6	1.1005	2.2108	2.5842	3.3595	1.7930		1.7930	3.5970	2.3247
H7	1.1002	2.1562	3.1977	2.7628	1.7750	1.7930		4.0544	3.4241
H8	3.4039	2.0662	1.0140	2.5270	4.0537	3.5970	4.0544		1.7476
H9	2.6576	2.1119	1.0113	3.2282	3.4228	2.3247	3.4241	1.7476

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	116.006	C1	C2	O4	122.488
C2	C1	H5	108.858	C2	C1	H6	113.184
C2	C1	H7	108.856	C2	N3	H8	117.992
C2	N3	H9	122.725	N3	C2	O4	121.506
H5	C1	H6	109.125	H5	C1	H7	107.536
H6	C1	H7	109.128	H8	N3	H9	119.283

All results from a given calculation for CH₃CONH₂ (Acetamide)

using model chemistry: B1B95/CEP-31G

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	-0.432
2	C	-0.143
3	N	-0.411
4	O	-0.138
5	H	0.175
6	H	0.128
7	H	0.175
8	H	0.331
9	H	0.314

	x	y	z	Total
	0.324	-4.438	0.000	4.450
CHELPG
AIM
ESP

	x	y	z
x	4.879	0.155	0.000
y	0.155	5.496	0.000
z	0.000	0.000	2.947

<r²>	0.000
(<r²>)^1/2	0.000

All results from a given calculation for CH3CONH2 (Acetamide)

using model chemistry: B1B95/CEP-31G

States and conformations

All results from a given calculation for CH₃CONH₂ (Acetamide)