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	hartrees
Energy at 0K	-209.191202
Energy at 298.15K	-209.197256
Nuclear repulsion energy	119.940284

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3762	3616	28.48
2	A	3607	3467	36.79
3	A	3161	3039	27.67
4	A	3158	3035	11.30
5	A	3063	2944	9.43
6	A	1691	1626	356.35
7	A	1649	1585	59.70
8	A	1515	1456	17.11
9	A	1496	1438	14.95
10	A	1436	1381	47.78
11	A	1374	1321	175.11
12	A	1123	1079	1.76
13	A	1083	1041	15.76
14	A	1006	967	7.16
15	A	849	816	0.26
16	A	685	659	121.41
17	A	558	536	165.22
18	A	529	508	12.84
19	A	504	484	72.48
20	A	433	416	5.41
21	A	39	37	2.95

Atom	x (Å)	y (Å)	z (Å)
C1	1.378	-0.334	-0.000
C2	-0.072	0.139	0.000
N3	-1.032	-0.854	-0.000
O4	-0.382	1.356	-0.000
H5	1.883	0.071	0.884
H6	1.480	-1.425	-0.003
H7	1.884	0.075	-0.881
H8	-2.007	-0.581	0.000
H9	-0.796	-1.836	0.000

	C1	C2	N3	O4	H5	H6	H7	H8	H9
C1		1.5250	2.4660	2.4401	1.0956	1.0953	1.0956	3.3943	2.6428
C2	1.5250		1.3817	1.2558	2.1465	2.2026	2.1463	2.0649	2.1037
N3	2.4660	1.3817		2.3036	3.1838	2.5760	3.1854	1.0125	1.0098
O4	2.4401	1.2558	2.3036		2.7503	3.3462	2.7484	2.5279	3.2186
H5	1.0956	2.1465	3.1838	2.7503		1.7846	1.7655	4.0422	3.4052
H6	1.0953	2.2026	2.5760	3.3462	1.7846		1.7846	3.5876	2.3129
H7	1.0956	2.1463	3.1854	2.7484	1.7655	1.7846		4.0435	3.4080
H8	3.3943	2.0649	1.0125	2.5279	4.0422	3.5876	4.0435		1.7442
H9	2.6428	2.1037	1.0098	3.2186	3.4052	2.3129	3.4080	1.7442

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	115.980	C1	C2	O4	122.379
C2	C1	H5	108.880	C2	C1	H6	113.387
C2	C1	H7	108.870	C2	N3	H8	118.372
C2	N3	H9	122.435	N3	C2	O4	121.641
H5	C1	H6	109.087	H5	C1	H7	107.362
H6	C1	H7	109.082	H8	N3	H9	119.193

All results from a given calculation for CH₃CONH₂ (Acetamide)

using model chemistry: B3LYP/LANL2DZ

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	-0.684
2	C	0.269
3	N	-0.617
4	O	-0.296
5	H	0.243
6	H	0.193
7	H	0.243
8	H	0.335
9	H	0.313

	x	y	z	Total
	0.311	-4.310	0.001	4.321
CHELPG
AIM
ESP

	x	y	z
x	4.916	0.191	0.001
y	0.191	5.528	-0.003
z	0.001	-0.003	2.960

<r²>	76.811
(<r²>)^1/2	8.764

All results from a given calculation for CH3CONH2 (Acetamide)

using model chemistry: B3LYP/LANL2DZ

States and conformations

All results from a given calculation for CH₃CONH₂ (Acetamide)