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	hartrees
Energy at 0K	-209.180124
Energy at 298.15K	-209.185878
Nuclear repulsion energy	121.739198

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3797	3614	48.35
2	A	3649	3473	41.63
3	A	3181	3027	5.20
4	A	3177	3024	12.97
5	A	3087	2938	7.86
6	A	1809	1722	417.47
7	A	1638	1559	121.92
8	A	1502	1430	14.00
9	A	1480	1409	9.10
10	A	1413	1345	98.80
11	A	1365	1299	89.19
12	A	1128	1074	0.69
13	A	1058	1007	5.01
14	A	994	946	8.80
15	A	863	821	1.36
16	A	673	641	11.24
17	A	546	520	13.02
18	A	527	501	8.82
19	A	434	413	4.76
20	A	234	223	229.44
21	A	32	30	3.99

Atom	x (Å)	y (Å)	z (Å)
C1	1.357	-0.346	-0.000
C2	-0.074	0.142	-0.001
N3	-1.034	-0.823	0.000
O4	-0.353	1.330	-0.000
H5	1.851	0.031	0.898
H6	1.455	-1.433	-0.031
H7	1.871	0.085	-0.861
H8	-1.999	-0.535	0.003
H9	-0.818	-1.804	-0.002

	C1	C2	N3	O4	H5	H6	H7	H8	H9
C1		1.5124	2.4386	2.3949	1.0917	1.0917	1.0914	3.3615	2.6185
C2	1.5124		1.3617	1.2205	2.1274	2.1954	2.1274	2.0406	2.0833
N3	2.4386	1.3617		2.2590	3.1400	2.5628	3.1631	1.0068	1.0040
O4	2.3949	1.2205	2.2590		2.7112	3.3023	2.6903	2.4881	3.1685
H5	1.0917	2.1274	3.1400	2.7112		1.7785	1.7599	3.9929	3.3614
H6	1.0917	2.1954	2.5628	3.3023	1.7785		1.7794	3.5687	2.3030
H7	1.0914	2.1274	3.1631	2.6903	1.7599	1.7794		4.0132	3.3963
H8	3.3615	2.0406	1.0068	2.4881	3.9929	3.5687	4.0132		1.7331
H9	2.6185	2.0833	1.0040	3.1685	3.3614	2.3030	3.3963	1.7331

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	115.999	C1	C2	O4	122.042
C2	C1	H5	108.476	C2	C1	H6	113.957
C2	C1	H7	108.498	C2	N3	H8	118.214
C2	N3	H9	122.726	N3	C2	O4	121.959
H5	C1	H6	109.085	H5	C1	H7	107.437
H6	C1	H7	109.189	H8	N3	H9	119.060

All results from a given calculation for CH₃CONH₂ (Acetamide)

using model chemistry: mPW1PW91/6-31+G**

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	-0.494
2	C	0.358
3	N	-0.580
4	O	-0.502
5	H	0.208
6	H	0.153
7	H	0.209
8	H	0.333
9	H	0.315

	x	y	z	Total
	0.198	-4.040	0.005	4.045
CHELPG
AIM
ESP

<r²>	75.177
(<r²>)^1/2	8.670

All results from a given calculation for CH3CONH2 (Acetamide)

using model chemistry: mPW1PW91/6-31+G**

States and conformations

All results from a given calculation for CH₃CONH₂ (Acetamide)