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	hartrees
Energy at 0K	-207.840618
Energy at 298.15K	-207.846773
HF Energy	-207.840618
Nuclear repulsion energy	121.028559

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3706	3570	30.58
2	A	3572	3441	28.79
3	A	3204	3087	3.56
4	A	3144	3029	8.77
5	A	3077	2965	4.12
6	A	1795	1730	230.04
7	A	1679	1617	80.39
8	A	1552	1495	12.57
9	A	1527	1471	15.99
10	A	1428	1375	46.60
11	A	1369	1318	166.68
12	A	1151	1109	0.28
13	A	1094	1054	17.53
14	A	1010	973	4.98
15	A	837	806	2.17
16	A	690	664	83.00
17	A	554	533	98.61
18	A	547	527	11.79
19	A	500	482	163.90
20	A	419	404	3.56
21	A	82	79	0.16

Atom	x (Å)	y (Å)	z (Å)
C1	1.375	-0.286	0.000
C2	-0.085	0.146	-0.015
N3	-0.978	-0.884	-0.008
O4	-0.435	1.331	0.005
H5	1.791	-0.101	0.997
H6	1.525	-1.339	-0.255
H7	1.926	0.340	-0.705
H8	-1.967	-0.670	0.030
H9	-0.686	-1.850	0.037

	C1	C2	N3	O4	H5	H6	H7	H8	H9
C1		1.5226	2.4273	2.4275	1.0964	1.0934	1.0925	3.3639	2.5869
C2	1.5226		1.3636	1.2357	2.1458	2.2038	2.1347	2.0519	2.0852
N3	2.4273	1.3636		2.2810	3.0476	2.5559	3.2275	1.0132	1.0095
O4	2.4275	1.2357	2.2810		2.8266	3.3227	2.6570	2.5201	3.1910
H5	1.0964	2.1458	3.0476	2.8266		1.7813	1.7636	3.9219	3.1805
H6	1.0934	2.2038	2.5559	3.3227	1.7813		1.7840	3.5674	2.2883
H7	1.0925	2.1347	3.2275	2.6570	1.7636	1.7840		4.0885	3.4885
H8	3.3639	2.0519	1.0132	2.5201	3.9219	3.5674	4.0885		1.7418
H9	2.5869	2.0852	1.0095	3.1910	3.1805	2.2883	3.4885	1.7418

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	114.378	C1	C2	O4	122.960
C2	C1	H5	108.942	C2	C1	H6	113.778
C2	C1	H7	108.306	C2	N3	H8	118.643
C2	N3	H9	122.275	N3	C2	O4	122.628
H5	C1	H6	108.867	H5	C1	H7	107.355
H6	C1	H7	109.399	H8	N3	H9	118.893

All results from a given calculation for CH₃CONH₂ (Acetamide)

using model chemistry: HSEh1PBE/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	-0.718
2	C	0.628
3	N	-0.794
4	O	-0.507
5	H	0.234
6	H	0.234
7	H	0.257
8	H	0.336
9	H	0.329

	x	y	z	Total
	0.315	-3.829	0.000	3.842
CHELPG
AIM
ESP

	x	y	z
x	4.385	0.021	0.000
y	0.021	4.930	0.000
z	0.000	0.000	2.412

<r²>	75.230
(<r²>)^1/2	8.674

All results from a given calculation for CH3CONH2 (Acetamide)

using model chemistry: HSEh1PBE/3-21G

States and conformations

All results from a given calculation for CH₃CONH₂ (Acetamide)