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	hartrees
Energy at 0K	-209.219524
Energy at 298.15K	-209.225179
Nuclear repulsion energy	121.981081

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3753	3609	36.30
2	A	3612	3473	32.26
3	A	3141	3020	9.51
4	A	3131	3011	11.16
5	A	3054	2937	7.44
6	A	1791	1722	345.30
7	A	1615	1553	106.52
8	A	1486	1429	11.15
9	A	1465	1409	7.48
10	A	1393	1340	83.17
11	A	1347	1295	92.05
12	A	1118	1075	0.26
13	A	1049	1009	4.51
14	A	982	944	7.87
15	A	849	816	2.32
16	A	675	649	8.98
17	A	544	523	13.32
18	A	524	504	5.92
19	A	428	411	4.75
20	A	170	163	181.05
21	A	30	29	5.06

Atom	x (Å)	y (Å)	z (Å)
C1	-1.356	-0.343	-0.000
C2	0.076	0.145	-0.003
N3	1.030	-0.825	-0.002
O4	0.355	1.327	0.000
H5	-1.891	0.152	-0.809
H6	-1.455	-1.423	-0.110
H7	-1.823	-0.038	0.936
H8	1.995	-0.544	0.013
H9	0.805	-1.801	0.004

	C1	C2	N3	O4	H5	H6	H7	H8	H9
C1		1.5126	2.4333	2.3909	1.0894	1.0901	1.0906	3.3562	2.6061
C2	1.5126		1.3605	1.2142	2.1261	2.1948	2.1267	2.0390	2.0786
N3	2.4333	1.3605		2.2552	3.1840	2.5583	3.1048	1.0051	1.0020
O4	2.3909	1.2142	2.2552		2.6613	3.2946	2.7356	2.4881	3.1605
H5	1.0894	2.1261	3.1840	2.6613		1.7777	1.7570	4.0327	3.4271
H6	1.0901	2.1948	2.5583	3.2946	1.7777		1.7749	3.5623	2.2942
H7	1.0906	2.1267	3.1048	2.7356	1.7570	1.7749		3.9604	3.2994
H8	3.3562	2.0390	1.0051	2.4881	4.0327	3.5623	3.9604		1.7309
H9	2.6061	2.0786	1.0020	3.1605	3.4271	2.2942	3.2994	1.7309

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	115.654	C1	C2	O4	122.141
C2	C1	H5	108.494	C2	C1	H6	113.990
C2	C1	H7	108.476	C2	N3	H8	118.293
C2	N3	H9	122.519	N3	C2	O4	122.204
H5	C1	H6	109.306	H5	C1	H7	107.409
H6	C1	H7	108.962	H8	N3	H9	119.175

All results from a given calculation for CH₃CONH₂ (Acetamide)

using model chemistry: B3PW91/cc-pVTZ

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	-0.276
2	C	0.221
3	N	-0.223
4	O	-0.340
5	H	0.115
6	H	0.074
7	H	0.114
8	H	0.161
9	H	0.155

	x	y	z	Total
	-0.065	-3.817	0.043	3.818
CHELPG
AIM
ESP

<r²>	74.699
(<r²>)^1/2	8.643

All results from a given calculation for CH3CONH2 (Acetamide)

using model chemistry: B3PW91/cc-pVTZ

States and conformations

All results from a given calculation for CH₃CONH₂ (Acetamide)