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	hartrees
Energy at 0K	-207.922949
Energy at 298.15K	-207.929135
Nuclear repulsion energy	121.556028

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	4003	3604	55.58
2	A	3849	3466	57.55
3	A	3357	3023	13.80
4	A	3296	2968	28.06
5	A	3219	2898	15.09
6	A	1849	1665	478.12
7	A	1805	1625	79.57
8	A	1640	1476	17.45
9	A	1625	1463	22.23
10	A	1568	1412	60.83
11	A	1486	1338	210.15
12	A	1237	1114	5.23
13	A	1193	1074	16.73
14	A	1098	989	15.40
15	A	916	824	0.69
16	A	718	646	217.98
17	A	600	540	161.19
18	A	584	526	23.60
19	A	531	478	79.71
20	A	446	402	4.07
21	A	10	9	0.23

Atom	x (Å)	y (Å)	z (Å)
C1	-1.370	-0.314	-0.000
C2	0.072	0.144	-0.002
N3	1.012	-0.850	0.000
O4	0.392	1.332	-0.000
H5	-2.014	0.549	-0.055
H6	-1.566	-0.962	-0.846
H7	-1.589	-0.863	0.908
H8	1.974	-0.598	0.005
H9	0.767	-1.811	-0.003

	C1	C2	N3	O4	H5	H6	H7	H8	H9
C1		1.5128	2.4417	2.4111	1.0776	1.0835	1.0838	3.3560	2.6094
C2	1.5128		1.3680	1.2309	2.1257	2.1490	2.1446	2.0414	2.0749
N3	2.4417	1.3680		2.2687	3.3342	2.7156	2.7547	0.9946	0.9921
O4	2.4111	1.2309	2.2687		2.5311	3.1325	3.0932	2.4954	3.1659
H5	1.0776	2.1257	3.3342	2.5311		1.7628	1.7611	4.1499	3.6476
H6	1.0835	2.1490	2.7156	3.1325	1.7628		1.7568	3.6590	2.6216
H7	1.0838	2.1446	2.7547	3.0932	1.7611	1.7568		3.6850	2.6979
H8	3.3560	2.0414	0.9946	2.4954	4.1499	3.6590	3.6850		1.7120
H9	2.6094	2.0749	0.9921	3.1659	3.6476	2.6216	2.6979	1.7120

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	115.810	C1	C2	O4	122.668
C2	C1	H5	109.136	C2	C1	H6	110.642
C2	C1	H7	110.276	C2	N3	H8	118.698
C2	N3	H9	122.279	N3	C2	O4	121.521
H5	C1	H6	109.315	H5	C1	H7	109.139
H6	C1	H7	108.307	H8	N3	H9	119.023

All results from a given calculation for CH₃CONH₂ (Acetamide)

using model chemistry: HF/SDD

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	-0.654
2	C	0.502
3	N	-0.809
4	O	-0.443
5	H	0.240
6	H	0.202
7	H	0.207
8	H	0.388
9	H	0.366

	x	y	z	Total
	-0.659	-4.682	0.009	4.728
CHELPG
AIM
ESP

	x	y	z
x	4.163	0.026	-0.002
y	0.026	5.172	-0.001
z	-0.002	-0.001	2.842

<r²>	75.637
(<r²>)^1/2	8.697

All results from a given calculation for CH3CONH2 (Acetamide)

using model chemistry: HF/SDD

States and conformations

All results from a given calculation for CH₃CONH₂ (Acetamide)