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	hartrees
Energy at 0K	-208.760439
Energy at 298.15K	-208.766327
HF Energy	-208.001888
Nuclear repulsion energy	121.719160

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3790	3591	37.14
2	A	3657	3465	38.32
3	A	3216	3046	4.50
4	A	3167	3001	8.32
5	A	3093	2931	4.51
6	A	1842	1745	280.96
7	A	1651	1564	91.65
8	A	1514	1434	6.77
9	A	1505	1426	8.32
10	A	1435	1360	82.53
11	A	1363	1291	85.24
12	A	1153	1092	0.23
13	A	1074	1017	4.75
14	A	994	942	8.13
15	A	863	817	1.80
16	A	643	609	16.92
17	A	558	529	20.49
18	A	516	489	9.67
19	A	416	395	5.60
20	A	310	293	223.95
21	A	60	57	0.10

Atom	x (Å)	y (Å)	z (Å)
C1	-1.371	-0.288	0.000
C2	0.083	0.158	0.001
N3	0.982	-0.874	-0.032
O4	0.422	1.321	0.004
H5	-2.004	0.594	-0.057
H6	-1.576	-0.944	-0.851
H7	-1.601	-0.843	0.914
H8	1.955	-0.646	0.072
H9	0.700	-1.826	0.107

	C1	C2	N3	O4	H5	H6	H7	H8	H9
C1		1.5204	2.4249	2.4088	1.0879	1.0933	1.0935	3.3457	2.5816
C2	1.5204		1.3691	1.2117	2.1333	2.1657	2.1615	2.0388	2.0803
N3	2.4249	1.3691		2.2659	3.3282	2.6872	2.7516	1.0047	1.0026
O4	2.4088	1.2117	2.2659		2.5336	3.1387	3.0988	2.4952	3.1611
H5	1.0879	2.1333	3.3282	2.5336		1.7825	1.7802	4.1514	3.6331
H6	1.0933	2.1657	2.6872	3.1387	1.7825		1.7675	3.6621	2.6228
H7	1.0935	2.1615	2.7516	3.0988	1.7802	1.7675		3.6601	2.6296
H8	3.3457	2.0388	1.0047	2.4952	4.1514	3.6621	3.6601		1.7228
H9	2.5816	2.0803	1.0026	3.1611	3.6331	2.6228	2.6296	1.7228

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	114.013	C1	C2	O4	123.292
C2	C1	H5	108.615	C2	C1	H6	110.850
C2	C1	H7	110.505	C2	N3	H8	117.561
C2	N3	H9	121.831	N3	C2	O4	122.681
H5	C1	H6	109.611	H5	C1	H7	109.391
H6	C1	H7	107.853	H8	N3	H9	118.246

All results from a given calculation for CH₃CONH₂ (Acetamide)

using model chemistry: QCISD/6-31G(2df,p)

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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All results from a given calculation for CH3CONH2 (Acetamide)

using model chemistry: QCISD/6-31G(2df,p)

States and conformations

All results from a given calculation for CH₃CONH₂ (Acetamide)