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	hartrees
Energy at 0K	-207.985617
Energy at 298.15K	-207.991544
Nuclear repulsion energy	119.438838

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3537	3514	10.90
2	A	3404	3382	8.09
3	A	3097	3077	8.05
4	A	3031	3011	17.34
5	A	2979	2960	8.26
6	A	1690	1679	193.09
7	A	1621	1610	44.89
8	A	1521	1511	8.65
9	A	1497	1487	16.15
10	A	1386	1377	19.43
11	A	1285	1277	155.07
12	A	1103	1095	0.12
13	A	1052	1046	8.82
14	A	964	958	10.01
15	A	775	770	4.42
16	A	656	652	38.48
17	A	523	519	32.80
18	A	519	516	10.66
19	A	427	424	222.32
20	A	401	399	3.08
21	A	65	65	0.12

Atom	x (Å)	y (Å)	z (Å)
C1	-1.406	-0.228	-0.000
C2	0.093	0.157	-0.001
N3	0.935	-0.944	0.000
O4	0.514	1.334	-0.000
H5	-1.996	0.697	-0.023
H6	-1.652	-0.844	-0.882
H7	-1.659	-0.801	0.908
H8	1.945	-0.785	0.002
H9	0.588	-1.904	-0.002

	C1	C2	N3	O4	H5	H6	H7	H8	H9
C1		1.5473	2.4482	2.4748	1.0969	1.1033	1.1035	3.3972	2.6049
C2	1.5473		1.3865	1.2499	2.1574	2.1961	2.1941	2.0784	2.1200
N3	2.4482	1.3865		2.3166	3.3591	2.7354	2.7522	1.0226	1.0210
O4	2.4748	1.2499	2.3166		2.5897	3.1956	3.1792	2.5570	3.2390
H5	1.0969	2.1574	3.3591	2.5897		1.7966	1.7958	4.2106	3.6662
H6	1.1033	2.1961	2.7354	3.1956	1.7966		1.7900	3.7048	2.6298
H7	1.1035	2.1941	2.7522	3.1792	1.7958	1.7900		3.7168	2.6635
H8	3.3972	2.0784	1.0226	2.5570	4.2106	3.7048	3.7168		1.7594
H9	2.6049	2.1200	1.0210	3.2390	3.6662	2.6298	2.6635	1.7594

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	113.007	C1	C2	O4	124.100
C2	C1	H5	108.140	C2	C1	H6	110.784
C2	C1	H7	110.613	C2	N3	H8	118.459
C2	N3	H9	122.701	N3	C2	O4	122.893
H5	C1	H6	109.480	H5	C1	H7	109.394
H6	C1	H7	108.414	H8	N3	H9	118.840

All results from a given calculation for CH₃CONH₂ (Acetamide)

using model chemistry: BLYP/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	-0.601
2	C	0.557
3	N	-0.683
4	O	-0.459
5	H	0.213
6	H	0.192
7	H	0.194
8	H	0.296
9	H	0.290

	x	y	z	Total
	-0.194	-3.613	0.003	3.618
CHELPG
AIM
ESP

<r²>	76.953
(<r²>)^1/2	8.772

All results from a given calculation for CH3CONH2 (Acetamide)

using model chemistry: BLYP/3-21G*

States and conformations

All results from a given calculation for CH₃CONH₂ (Acetamide)