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	hartrees
Energy at 0K	-207.998786
Energy at 298.15K	-208.004965
HF Energy	-207.998786
Nuclear repulsion energy	120.982297

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3731	3536	34.01
2	A	3601	3413	34.26
3	A	3207	3039	3.50
4	A	3153	2988	8.77
5	A	3086	2925	3.85
6	A	1808	1714	241.38
7	A	1690	1602	86.48
8	A	1561	1479	13.14
9	A	1533	1453	15.76
10	A	1441	1366	48.81
11	A	1372	1300	172.50
12	A	1158	1098	0.41
13	A	1103	1045	19.73
14	A	1017	964	5.83
15	A	834	791	2.11
16	A	693	657	101.07
17	A	559	530	141.16
18	A	553	524	11.58
19	A	515	488	115.50
20	A	426	404	3.65
21	A	84	79	0.15

Atom	x (Å)	y (Å)	z (Å)
C1	-1.379	-0.252	-0.000
C2	0.091	0.160	-0.004
N3	0.943	-0.917	-0.017
O4	0.473	1.328	0.005
H5	-1.985	0.650	-0.061
H6	-1.602	-0.903	-0.853
H7	-1.627	-0.795	0.919
H8	1.938	-0.740	0.030
H9	0.619	-1.869	0.072

	C1	C2	N3	O4	H5	H6	H7	H8	H9
C1		1.5259	2.4153	2.4342	1.0889	1.0955	1.0960	3.3527	2.5706
C2	1.5259		1.3738	1.2292	2.1335	2.1715	2.1707	2.0556	2.0979
N3	2.4153	1.3738		2.2941	3.3216	2.6788	2.7378	1.0116	1.0098
O4	2.4342	1.2292	2.2941		2.5505	3.1651	3.1227	2.5351	3.2013
H5	1.0889	2.1335	3.3216	2.5505		1.7851	1.7825	4.1634	3.6253
H6	1.0955	2.1715	2.6788	3.1651	1.7851		1.7751	3.6521	2.5919
H7	1.0960	2.1707	2.7378	3.1227	1.7825	1.7751		3.6744	2.6289
H8	3.3527	2.0556	1.0116	2.5351	4.1634	3.6521	3.6744		1.7371
H9	2.5706	2.0979	1.0098	3.2013	3.6253	2.5919	2.6289	1.7371

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	112.699	C1	C2	O4	123.787
C2	C1	H5	108.197	C2	C1	H6	110.796
C2	C1	H7	110.697	C2	N3	H8	118.232
C2	N3	H9	122.587	N3	C2	O4	123.514
H5	C1	H6	109.614	H5	C1	H7	109.336
H6	C1	H7	108.188	H8	N3	H9	118.488

All results from a given calculation for CH₃CONH₂ (Acetamide)

using model chemistry: wB97X-D/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	-0.706
2	C	0.634
3	N	-0.800
4	O	-0.512
5	H	0.255
6	H	0.230
7	H	0.230
8	H	0.339
9	H	0.331

	x	y	z	Total
	-0.335	-3.866	-0.001	3.880
CHELPG
AIM
ESP

	x	y	z
x	4.288	-0.013	0.000
y	-0.013	4.881	0.000
z	0.000	0.000	2.407

<r²>	75.271
(<r²>)^1/2	8.676

All results from a given calculation for CH3CONH2 (Acetamide)

using model chemistry: wB97X-D/3-21G*

States and conformations

All results from a given calculation for CH₃CONH₂ (Acetamide)