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	hartrees
Energy at 0K	-208.065402
Energy at 298.15K	-208.071216
HF Energy	-208.065402
Nuclear repulsion energy	123.052554

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3963	3585	54.51
2	A	3824	3459	52.57
3	A	3285	2971	11.08
4	A	3233	2924	19.10
5	A	3176	2873	8.94
6	A	1931	1747	487.86
7	A	1771	1602	112.56
8	A	1606	1453	8.53
9	A	1588	1436	10.33
10	A	1535	1388	72.79
11	A	1441	1304	153.49
12	A	1224	1107	1.18
13	A	1159	1048	5.77
14	A	1068	966	18.94
15	A	905	819	1.02
16	A	697	630	13.43
17	A	600	542	20.57
18	A	558	505	3.12
19	A	452	409	4.46
20	A	156	141	226.49
21	A	47	42	1.88

Atom	x (Å)	y (Å)	z (Å)
C1	-1.356	-0.324	-0.001
C2	0.078	0.151	-0.010
N3	1.015	-0.825	-0.010
O4	0.369	1.309	0.002
H5	-1.990	0.466	-0.369
H6	-1.492	-1.216	-0.599
H7	-1.642	-0.552	1.020
H8	1.969	-0.566	0.050
H9	0.775	-1.784	0.019

	C1	C2	N3	O4	H5	H6	H7	H8	H9
C1		1.5108	2.4238	2.3753	1.0781	1.0825	1.0841	3.3350	2.5835
C2	1.5108		1.3538	1.1934	2.1223	2.1637	2.1239	2.0241	2.0570
N3	2.4238	1.3538		2.2297	3.2906	2.6050	2.8628	0.9909	0.9881
O4	2.3753	1.1934	2.2297		2.5320	3.1933	2.9224	2.4654	3.1187
H5	1.0781	2.1223	3.2906	2.5320		1.7693	1.7572	4.1133	3.5862
H6	1.0825	2.1637	2.6050	3.1933	1.7693		1.7566	3.5816	2.4181
H7	1.0841	2.1239	2.8628	2.9224	1.7572	1.7566		3.7393	2.8916
H8	3.3350	2.0241	0.9909	2.4654	4.1133	3.5816	3.7393		1.7057
H9	2.5835	2.0570	0.9881	3.1187	3.5862	2.4181	2.8916	1.7057

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	115.479	C1	C2	O4	122.460
C2	C1	H5	108.975	C2	C1	H6	112.036
C2	C1	H7	108.751	C2	N3	H8	118.551
C2	N3	H9	122.114	N3	C2	O4	122.054
H5	C1	H6	109.949	H5	C1	H7	108.724
H6	C1	H7	108.342	H8	N3	H9	119.062

All results from a given calculation for CH₃CONH₂ (Acetamide)

using model chemistry: HF/daug-cc-pVTZ

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	-0.687
2	C	0.697
3	N	-0.527
4	O	-1.146
5	H	0.452
6	H	0.402
7	H	0.386
8	H	-0.036
9	H	0.459

	x	y	z	Total
	-0.401	-4.056	0.149	4.079
CHELPG
AIM
ESP

	x	y	z
x	5.593	-0.069	-0.017
y	-0.069	5.866	0.000
z	-0.017	0.000	4.170

<r²>	74.056
(<r²>)^1/2	8.606

All results from a given calculation for CH3CONH2 (Acetamide)

using model chemistry: HF/daug-cc-pVTZ

States and conformations

All results from a given calculation for CH₃CONH₂ (Acetamide)