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	hartrees
Energy at 0K	-209.076481
Energy at 298.15K
HF Energy	-209.076481
Nuclear repulsion energy	122.177188

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3770	3624	38.39
2	A	3629	3488	34.62
3	A	3161	3038	7.61
4	A	3139	3017	11.50
5	A	3064	2945	6.41
6	A	1808	1738	349.69
7	A	1621	1558	113.18
8	A	1487	1429	12.72
9	A	1464	1407	8.71
10	A	1398	1344	105.93
11	A	1352	1300	65.42
12	A	1124	1080	0.31
13	A	1051	1010	4.84
14	A	985	947	7.35
15	A	858	824	2.15
16	A	675	648	8.89
17	A	549	528	13.67
18	A	524	503	5.69
19	A	429	412	4.57
20	A	173	166	182.87
21	A	23i	22i	4.64

Atom	x (Å)	y (Å)	z (Å)
C1	1.359	-0.328	-0.001
C2	-0.076	0.141	-0.007
N3	-1.020	-0.829	-0.018
O4	-0.371	1.318	0.003
H5	1.779	-0.147	0.990
H6	1.477	-1.385	-0.244
H7	1.924	0.273	-0.710
H8	-1.986	-0.560	0.055
H9	-0.779	-1.798	0.057

	C1	C2	N3	O4	H5	H6	H7	H8	H9
C1		1.5095	2.4316	2.3884	1.0912	1.0902	1.0884	3.3533	2.5950
C2	1.5095		1.3544	1.2136	2.1251	2.1896	2.1236	2.0359	2.0636
N3	2.4316	1.3544		2.2436	3.0525	2.5682	3.2191	1.0050	1.0007
O4	2.3884	1.2136	2.2436		2.7825	3.2835	2.6207	2.4775	3.1429
H5	1.0912	2.1251	3.0525	2.7825		1.7738	1.7576	3.9010	3.1844
H6	1.0902	2.1896	2.5682	3.2835	1.7738		1.7790	3.5721	2.3133
H7	1.0884	2.1236	3.2191	2.6207	1.7576	1.7790		4.0700	3.4904
H8	3.3533	2.0359	1.0050	2.4775	3.9010	3.5721	4.0700		1.7285
H9	2.5950	2.0636	1.0007	3.1429	3.1844	2.3133	3.4904	1.7285

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	116.107	C1	C2	O4	122.216
C2	C1	H5	108.526	C2	C1	H6	113.778
C2	C1	H7	108.570	C2	N3	H8	118.526
C2	N3	H9	121.648	N3	C2	O4	121.677
H5	C1	H6	108.807	H5	C1	H7	107.488
H6	C1	H7	109.485	H8	N3	H9	119.029

All results from a given calculation for CH₃CONH₂ (Acetamide)

using model chemistry: HSEh1PBE/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	-0.298
2	C	0.211
3	N	-0.221
4	O	-0.335
5	H	0.121
6	H	0.080
7	H	0.123
8	H	0.164
9	H	0.157

	x	y	z	Total
	0.087	-3.822	0.094	3.825
CHELPG
AIM
ESP

	x	y	z
x	5.818	0.165	0.001
y	0.165	5.879	-0.002
z	0.001	-0.002	3.773

<r²>	74.518
(<r²>)^1/2	8.632

All results from a given calculation for CH3CONH2 (Acetamide)

using model chemistry: HSEh1PBE/cc-pVTZ

States and conformations

All results from a given calculation for CH₃CONH₂ (Acetamide)