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	hartrees
Energy at 0K	-209.135996
Energy at 298.15K
HF Energy	-209.135996
Nuclear repulsion energy	121.990246

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3784	3604	48.25
2	A	3642	3469	47.07
3	A	3196	3044	3.36
4	A	3143	2993	6.82
5	A	3067	2921	3.60
6	A	1864	1775	325.99
7	A	1614	1537	122.69
8	A	1485	1414	7.87
9	A	1473	1403	8.94
10	A	1408	1341	109.68
11	A	1341	1277	61.14
12	A	1123	1069	1.19
13	A	1057	1007	4.09
14	A	978	931	7.50
15	A	855	814	1.19
16	A	648	617	8.62
17	A	556	530	15.75
18	A	525	500	3.73
19	A	414	394	3.70
20	A	175	166	202.03
21	A	25i	24i	1.60

Atom	x (Å)	y (Å)	z (Å)
C1	-1.367	-0.294	0.000
C2	0.082	0.157	0.001
N3	0.987	-0.866	-0.030
O4	0.412	1.319	0.004
H5	-2.004	0.585	-0.057
H6	-1.568	-0.951	-0.850
H7	-1.595	-0.850	0.914
H8	1.961	-0.630	0.068
H9	0.712	-1.822	0.102

	C1	C2	N3	O4	H5	H6	H7	H8	H9
C1		1.5177	2.4232	2.4020	1.0877	1.0932	1.0933	3.3456	2.5822
C2	1.5177		1.3669	1.2075	2.1300	2.1623	2.1584	2.0385	2.0802
N3	2.4232	1.3669		2.2593	3.3250	2.6852	2.7494	1.0063	1.0042
O4	2.4020	1.2075	2.2593		2.5260	3.1314	3.0917	2.4898	3.1569
H5	1.0877	2.1300	3.3250	2.5260		1.7835	1.7807	4.1488	3.6331
H6	1.0932	2.1623	2.6852	3.1314	1.7835		1.7675	3.6604	2.6197
H7	1.0933	2.1584	2.7494	3.0917	1.7807	1.7675		3.6614	2.6318
H8	3.3456	2.0385	1.0063	2.4898	4.1488	3.6604	3.6614		1.7270
H9	2.5822	2.0802	1.0042	3.1569	3.6331	2.6197	2.6318	1.7270

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	114.182	C1	C2	O4	123.221
C2	C1	H5	108.546	C2	C1	H6	110.770
C2	C1	H7	110.454	C2	N3	H8	117.600
C2	N3	H9	121.893	N3	C2	O4	122.585
H5	C1	H6	109.725	H5	C1	H7	109.463
H6	C1	H7	107.872	H8	N3	H9	118.416

All results from a given calculation for CH₃CONH₂ (Acetamide)

using model chemistry: M06-2X/6-31G(2df,p)

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	-0.520
2	C	0.436
3	N	-0.566
4	O	-0.387
5	H	0.169
6	H	0.151
7	H	0.153
8	H	0.285
9	H	0.279

	x	y	z	Total
	-0.235	-3.655	0.268	3.672
CHELPG
AIM
ESP

	x	y	z
x	5.148	-0.102	0.003
y	-0.102	5.452	-0.006
z	0.003	-0.006	3.350

<r²>	74.449
(<r²>)^1/2	8.628

All results from a given calculation for CH3CONH2 (Acetamide)

using model chemistry: M06-2X/6-31G(2df,p)

States and conformations

All results from a given calculation for CH₃CONH₂ (Acetamide)