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	hartrees
Energy at 0K	-209.191775
Energy at 298.15K	-209.197829
Nuclear repulsion energy	119.927827

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3762	3616	28.37
2	A	3607	3468	36.35
3	A	3161	3039	27.95
4	A	3158	3036	11.34
5	A	3063	2944	9.58
6	A	1692	1627	358.60
7	A	1649	1586	59.69
8	A	1515	1456	17.06
9	A	1496	1438	14.97
10	A	1436	1381	47.34
11	A	1374	1320	175.86
12	A	1122	1079	1.70
13	A	1083	1041	15.63
14	A	1006	967	7.15
15	A	848	815	0.27
16	A	685	658	119.46
17	A	556	535	162.72
18	A	528	508	12.86
19	A	503	484	76.11
20	A	432	416	5.37
21	A	40	38	2.96

Atom	x (Å)	y (Å)	z (Å)
C1	1.378	-0.334	-0.000
C2	-0.072	0.139	-0.000
N3	-1.033	-0.854	0.000
O4	-0.382	1.356	-0.000
H5	1.884	0.071	0.884
H6	1.480	-1.425	-0.002
H7	1.884	0.074	-0.882
H8	-2.007	-0.581	0.000
H9	-0.796	-1.836	-0.000

	C1	C2	N3	O4	H5	H6	H7	H8	H9
C1		1.5254	2.4663	2.4403	1.0956	1.0954	1.0956	3.3947	2.6428
C2	1.5254		1.3821	1.2556	2.1468	2.2029	2.1467	2.0653	2.1040
N3	2.4663	1.3821		2.3040	3.1844	2.5761	3.1856	1.0125	1.0099
O4	2.4403	1.2556	2.3040		2.7504	3.3464	2.7492	2.5285	3.2188
H5	1.0956	2.1468	3.1844	2.7504		1.7846	1.7655	4.0429	3.4058
H6	1.0954	2.2029	2.5761	3.3464	1.7846		1.7846	3.5877	2.3127
H7	1.0956	2.1467	3.1856	2.7492	1.7655	1.7846		4.0439	3.4076
H8	3.3947	2.0653	1.0125	2.5285	4.0429	3.5877	4.0439		1.7443
H9	2.6428	2.1040	1.0099	3.2188	3.4058	2.3127	3.4076	1.7443

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	115.959	C1	C2	O4	122.387
C2	C1	H5	108.880	C2	C1	H6	113.386
C2	C1	H7	108.879	C2	N3	H8	118.372
C2	N3	H9	122.429	N3	C2	O4	121.654
H5	C1	H6	109.078	H5	C1	H7	107.361
H6	C1	H7	109.084	H8	N3	H9	119.199

All results from a given calculation for CH₃CONH₂ (Acetamide)

using model chemistry: B3LYP/SDD

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	-0.686
2	C	0.271
3	N	-0.616
4	O	-0.293
5	H	0.242
6	H	0.192
7	H	0.242
8	H	0.335
9	H	0.313

	x	y	z	Total
	0.310	-4.303	0.000	4.314
CHELPG
AIM
ESP

	x	y	z
x	4.922	0.191	0.000
y	0.191	5.526	-0.003
z	0.000	-0.003	2.971

<r²>	76.830
(<r²>)^1/2	8.765

All results from a given calculation for CH3CONH2 (Acetamide)

using model chemistry: B3LYP/SDD

States and conformations

All results from a given calculation for CH₃CONH₂ (Acetamide)