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	hartrees
Energy at 0K	-208.005758
Energy at 298.15K	-208.011921
Nuclear repulsion energy	121.027929

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3714	3545	31.50
2	A	3581	3418	29.54
3	A	3209	3063	3.65
4	A	3149	3006	9.08
5	A	3083	2943	4.21
6	A	1795	1713	233.03
7	A	1683	1606	78.72
8	A	1557	1486	12.44
9	A	1531	1462	16.27
10	A	1432	1367	44.31
11	A	1368	1306	170.25
12	A	1153	1101	0.30
13	A	1096	1047	17.54
14	A	1011	966	5.38
15	A	836	798	2.11
16	A	690	659	85.24
17	A	555	530	102.29
18	A	547	522	11.78
19	A	500	478	160.73
20	A	419	400	3.59
21	A	85	81	0.15

Atom	x (Å)	y (Å)	z (Å)
C1	-1.382	-0.237	0.000
C2	0.089	0.154	-0.000
N3	0.932	-0.923	0.000
O4	0.491	1.321	0.000
H5	-1.979	0.675	-0.000
H6	-1.623	-0.829	-0.889
H7	-1.623	-0.829	0.889
H8	1.930	-0.756	0.000
H9	0.596	-1.874	-0.000

	C1	C2	N3	O4	H5	H6	H7	H8	H9
C1		1.5224	2.4137	2.4364	1.0892	1.0951	1.0951	3.3522	2.5676
C2	1.5224		1.3670	1.2345	2.1328	2.1650	2.1650	2.0528	2.0901
N3	2.4137	1.3670		2.2864	3.3203	2.7063	2.7065	1.0115	1.0092
O4	2.4364	1.2345	2.2864		2.5535	3.1437	3.1436	2.5261	3.1968
H5	1.0892	2.1328	3.3203	2.5535		1.7829	1.7829	4.1620	3.6226
H6	1.0951	2.1650	2.7063	3.1437	1.7829		1.7777	3.6624	2.6078
H7	1.0951	2.1650	2.7065	3.1436	1.7829	1.7777		3.6625	2.6081
H8	3.3522	2.0528	1.0115	2.5261	4.1620	3.6624	3.6625		1.7408
H9	2.5676	2.0901	1.0092	3.1968	3.6226	2.6078	2.6081	1.7408

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	113.196	C1	C2	O4	123.866
C2	C1	H5	108.367	C2	C1	H6	110.551
C2	C1	H7	110.550	C2	N3	H8	118.558
C2	N3	H9	122.470	N3	C2	O4	122.938
H5	C1	H6	109.420	H5	C1	H7	109.420
H6	C1	H7	108.518	H8	N3	H9	118.971

All results from a given calculation for CH₃CONH₂ (Acetamide)

using model chemistry: mPW1PW91/3-21G

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	-0.719
2	C	0.631
3	N	-0.798
4	O	-0.511
5	H	0.258
6	H	0.235
7	H	0.235
8	H	0.338
9	H	0.331

	x	y	z	Total
	-0.326	-3.841	0.000	3.855
CHELPG
AIM
ESP

<r²>	75.221
(<r²>)^1/2	8.673

All results from a given calculation for CH3CONH2 (Acetamide)

using model chemistry: mPW1PW91/3-21G

States and conformations

All results from a given calculation for CH₃CONH₂ (Acetamide)