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	hartrees
Energy at 0K	-209.222357
Energy at 298.15K	-209.228073
Nuclear repulsion energy	122.032590

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3782	3618	38.76
2	A	3641	3483	35.22
3	A	3162	3025	10.17
4	A	3154	3018	13.63
5	A	3072	2939	7.54
6	A	1825	1746	360.16
7	A	1634	1563	119.37
8	A	1496	1431	14.42
9	A	1473	1409	8.99
10	A	1405	1344	100.93
11	A	1358	1299	78.50
12	A	1131	1082	0.38
13	A	1057	1011	6.54
14	A	989	947	7.38
15	A	858	821	2.06
16	A	683	654	13.25
17	A	548	524	14.63
18	A	527	504	8.16
19	A	431	412	4.46
20	A	205	196	204.18
21	A	26	25	8.68

Atom	x (Å)	y (Å)	z (Å)
C1	1.354	-0.346	-0.000
C2	-0.077	0.147	-0.003
N3	-1.030	-0.824	-0.002
O4	-0.352	1.327	0.000
H5	1.829	-0.019	0.926
H6	1.453	-1.428	-0.088
H7	1.884	0.132	-0.824
H8	-1.994	-0.540	0.012
H9	-0.809	-1.801	0.005

	C1	C2	N3	O4	H5	H6	H7	H8	H9
C1		1.5131	2.4316	2.3891	1.0910	1.0907	1.0900	3.3541	2.6070
C2	1.5131		1.3607	1.2117	2.1265	2.1976	2.1254	2.0372	2.0811
N3	2.4316	1.3607		2.2550	3.1120	2.5575	3.1748	1.0052	1.0021
O4	2.3891	1.2117	2.2550		2.7251	3.2951	2.6655	2.4866	3.1611
H5	1.0910	2.1265	3.1120	2.7251		1.7763	1.7579	3.9655	3.3139
H6	1.0907	2.1976	2.5575	3.2951	1.7763		1.7783	3.5617	2.2947
H7	1.0900	2.1254	3.1748	2.6655	1.7579	1.7783		4.0237	3.4169
H8	3.3541	2.0372	1.0052	2.4866	3.9655	3.5617	4.0237		1.7308
H9	2.6070	2.0811	1.0021	3.1611	3.3139	2.2947	3.4169	1.7308

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	115.493	C1	C2	O4	122.135
C2	C1	H5	108.407	C2	C1	H6	114.148
C2	C1	H7	108.380	C2	N3	H8	118.095
C2	N3	H9	122.752	N3	C2	O4	122.372
H5	C1	H6	109.014	H5	C1	H7	107.415
H6	C1	H7	109.266	H8	N3	H9	119.138

All results from a given calculation for CH₃CONH₂ (Acetamide)

using model chemistry: mPW1PW91/6-311G**

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	-0.354
2	C	0.324
3	N	-0.480
4	O	-0.380
5	H	0.154
6	H	0.110
7	H	0.155
8	H	0.240
9	H	0.231

	x	y	z	Total
	0.051	-3.790	0.048	3.790
CHELPG
AIM
ESP

	x	y	z
x	5.372	0.194	-0.000
y	0.194	5.494	-0.000
z	-0.000	-0.000	3.319

<r²>	74.602
(<r²>)^1/2	8.637

All results from a given calculation for CH3CONH2 (Acetamide)

using model chemistry: mPW1PW91/6-311G**

States and conformations

All results from a given calculation for CH₃CONH₂ (Acetamide)