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	hartrees
Energy at 0K	-209.228271
Energy at 298.15K
HF Energy	-209.228271
Nuclear repulsion energy	121.981162

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3781	3611	42.92
2	A	3642	3478	40.88
3	A	3167	3025	4.29
4	A	3163	3021	15.92
5	A	3078	2940	7.42
6	A	1813	1732	402.48
7	A	1638	1565	118.07
8	A	1505	1437	13.01
9	A	1478	1411	8.91
10	A	1418	1354	79.47
11	A	1364	1303	116.43
12	A	1136	1085	0.55
13	A	1065	1017	5.57
14	A	999	954	10.67
15	A	854	816	2.00
16	A	673	642	12.86
17	A	558	532	13.37
18	A	531	507	8.97
19	A	443	423	4.60
20	A	260	248	221.70
21	A	22i	21i	3.78

Atom	x (Å)	y (Å)	z (Å)
C1	-1.368	-0.299	-0.000
C2	0.080	0.155	0.002
N3	0.994	-0.860	-0.029
O4	0.407	1.319	0.004
H5	-2.009	0.575	-0.065
H6	-1.567	-0.960	-0.847
H7	-1.598	-0.848	0.916
H8	1.967	-0.621	0.061
H9	0.726	-1.819	0.096

	C1	C2	N3	O4	H5	H6	H7	H8	H9
C1		1.5174	2.4283	2.4022	1.0863	1.0920	1.0921	3.3511	2.5890
C2	1.5174		1.3667	1.2094	2.1318	2.1621	2.1573	2.0414	2.0791
N3	2.4283	1.3667		2.2573	3.3291	2.6909	2.7589	1.0056	1.0036
O4	2.4022	1.2094	2.2573		2.5289	3.1326	3.0897	2.4904	3.1558
H5	1.0863	2.1318	3.3291	2.5289		1.7786	1.7762	4.1541	3.6385
H6	1.0920	2.1621	2.6909	3.1326	1.7786		1.7668	3.6646	2.6238
H7	1.0921	2.1573	2.7589	3.0897	1.7762	1.7668		3.6728	2.6488
H8	3.3511	2.0414	1.0056	2.4904	4.1541	3.6646	3.6728		1.7254
H9	2.5890	2.0791	1.0036	3.1558	3.6385	2.6238	2.6488	1.7254

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	114.596	C1	C2	O4	123.114
C2	C1	H5	108.790	C2	C1	H6	110.860
C2	C1	H7	110.465	C2	N3	H8	117.955
C2	N3	H9	121.854	N3	C2	O4	122.274
H5	C1	H6	109.476	H5	C1	H7	109.246
H6	C1	H7	107.982	H8	N3	H9	118.355

All results from a given calculation for CH₃CONH₂ (Acetamide)

using model chemistry: wB97X-D/TZVP

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	-0.412
2	C	0.276
3	N	-0.432
4	O	-0.364
5	H	0.156
6	H	0.107
7	H	0.156
8	H	0.262
9	H	0.252

	x	y	z	Total
	-0.146	-3.962	0.009	3.964
CHELPG
AIM
ESP

	x	y	z
x	5.503	-0.219	-0.002
y	-0.219	5.904	-0.001
z	-0.002	-0.001	3.772

<r²>	74.873
(<r²>)^1/2	8.653

All results from a given calculation for CH3CONH2 (Acetamide)

using model chemistry: wB97X-D/TZVP

States and conformations

All results from a given calculation for CH₃CONH₂ (Acetamide)