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	hartrees
Energy at 0K	-209.175073
Energy at 298.15K	-209.180860
Nuclear repulsion energy	121.680040

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3752	3596	37.09
2	A	3609	3458	30.27
3	A	3206	3072	3.82
4	A	3153	3022	9.01
5	A	3071	2943	5.82
6	A	1841	1764	321.22
7	A	1605	1538	116.02
8	A	1462	1401	9.85
9	A	1448	1388	11.73
10	A	1405	1346	124.92
11	A	1334	1279	33.56
12	A	1128	1081	0.48
13	A	1044	1000	5.36
14	A	974	933	5.29
15	A	863	827	2.16
16	A	649	622	11.12
17	A	559	535	17.42
18	A	517	496	7.21
19	A	417	399	3.80
20	A	245	235	200.43
21	A	54	51	0.10

Atom	x (Å)	y (Å)	z (Å)
C1	-1.367	-0.296	-0.001
C2	0.078	0.152	-0.006
N3	0.992	-0.865	-0.041
O4	0.412	1.320	0.007
H5	-2.003	0.567	-0.221
H6	-1.550	-1.091	-0.738
H7	-1.636	-0.686	0.993
H8	1.962	-0.615	0.101
H9	0.720	-1.820	0.136

	C1	C2	N3	O4	H5	H6	H7	H8	H9
C1		1.5135	2.4276	2.4035	1.0945	1.0991	1.1006	3.3462	2.5887
C2	1.5135		1.3670	1.2154	2.1339	2.1751	2.1534	2.0362	2.0783
N3	2.4276	1.3670		2.2612	3.3252	2.6459	2.8294	1.0113	1.0090
O4	2.4035	1.2154	2.2612		2.5400	3.1961	3.0316	2.4813	3.1581
H5	1.0945	2.1339	3.3252	2.5400		1.7947	1.7834	4.1504	3.6396
H6	1.0991	2.1751	2.6459	3.1961	1.7947		1.7790	3.6421	2.5398
H7	1.1006	2.1534	2.8294	3.0316	1.7834	1.7790		3.7072	2.7515
H8	3.3462	2.0362	1.0113	2.4813	4.1504	3.6421	3.7072		1.7308
H9	2.5887	2.0783	1.0090	3.1581	3.6396	2.5398	2.7515	1.7308

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	114.773	C1	C2	O4	123.099
C2	C1	H5	108.747	C2	C1	H6	111.737
C2	C1	H7	109.914	C2	N3	H8	116.987
C2	N3	H9	121.287	N3	C2	O4	122.124
H5	C1	H6	109.793	H5	C1	H7	108.663
H6	C1	H7	107.937	H8	N3	H9	117.893

All results from a given calculation for CH₃CONH₂ (Acetamide)

using model chemistry: mPW1PW91/cc-pVDZ

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	-0.081
2	C	0.075
3	N	-0.131
4	O	-0.276
5	H	0.069
6	H	0.057
7	H	0.069
8	H	0.113
9	H	0.103

	x	y	z	Total
	-0.195	-3.672	0.486	3.709
CHELPG
AIM
ESP

	x	y	z
x	0.000	0.000	0.000
y	0.000	0.000	0.000
z	0.000	0.000	0.000

<r²>	74.682
(<r²>)^1/2	8.642

All results from a given calculation for CH3CONH2 (Acetamide)

using model chemistry: mPW1PW91/cc-pVDZ

States and conformations

All results from a given calculation for CH₃CONH₂ (Acetamide)