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	hartrees
Energy at 0K	-208.599767
Energy at 298.15K	-208.605666
HF Energy	-207.973412
Nuclear repulsion energy	121.155464

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3725	3547	28.96
2	A	3603	3431	31.21
3	A	3200	3048	6.07
4	A	3146	2996	12.20
5	A	3077	2930	6.53
6	A	1836	1748	275.81
7	A	1673	1594	97.43
8	A	1532	1459	8.86
9	A	1528	1455	9.15
10	A	1457	1388	84.32
11	A	1385	1319	89.90
12	A	1165	1110	0.47
13	A	1086	1034	5.83
14	A	1008	960	7.74
15	A	871	829	1.55
16	A	641	610	34.12
17	A	561	534	21.78
18	A	516	491	30.04
19	A	425	405	14.17
20	A	359	341	254.29
21	A	39	37	0.25

Atom	x (Å)	y (Å)	z (Å)
C1	-1.374	-0.294	0.000
C2	0.081	0.155	0.001
N3	0.990	-0.875	-0.033
O4	0.419	1.330	0.005
H5	-2.009	0.592	-0.058
H6	-1.581	-0.950	-0.855
H7	-1.608	-0.850	0.918
H8	1.968	-0.640	0.071
H9	0.716	-1.837	0.111

	C1	C2	N3	O4	H5	H6	H7	H8	H9
C1		1.5226	2.4343	2.4192	1.0919	1.0975	1.0978	3.3605	2.5998
C2	1.5226		1.3746	1.2224	2.1357	2.1718	2.1684	2.0491	2.0939
N3	2.4343	1.3746		2.2782	3.3386	2.7003	2.7660	1.0116	1.0101
O4	2.4192	1.2224	2.2782		2.5384	3.1528	3.1132	2.5066	3.1825
H5	1.0919	2.1357	3.3386	2.5384		1.7883	1.7863	4.1654	3.6542
H6	1.0975	2.1718	2.7003	3.1528	1.7883		1.7755	3.6811	2.6448
H7	1.0978	2.1684	2.7660	3.1132	1.7863	1.7755		3.6807	2.6503
H8	3.3605	2.0491	1.0116	2.5066	4.1654	3.6811	3.6807		1.7329
H9	2.5998	2.0939	1.0101	3.1825	3.6542	2.6448	2.6503	1.7329

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	114.232	C1	C2	O4	123.235
C2	C1	H5	108.428	C2	C1	H6	110.932
C2	C1	H7	110.647	C2	N3	H8	117.540
C2	N3	H9	122.070	N3	C2	O4	122.520
H5	C1	H6	109.531	H5	C1	H7	109.331
H6	C1	H7	107.955	H8	N3	H9	118.000

All results from a given calculation for CH₃CONH₂ (Acetamide)

using model chemistry: QCISD/6-31G*

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*

States and conformations

All results from a given calculation for CH₃CONH₂ (Acetamide)