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	hartrees
Energy at 0K	-209.074285
Energy at 298.15K	-209.080389
Nuclear repulsion energy	120.808510

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3773	3613	29.22
2	A	3629	3475	30.02
3	A	3195	3060	5.98
4	A	3144	3011	15.22
5	A	3066	2936	7.31
6	A	1746	1673	298.93
7	A	1676	1605	75.57
8	A	1531	1466	13.23
9	A	1513	1449	15.63
10	A	1442	1381	62.73
11	A	1401	1342	140.27
12	A	1145	1096	1.45
13	A	1092	1046	17.11
14	A	1016	973	5.54
15	A	866	830	1.05
16	A	692	663	146.60
17	A	561	537	125.04
18	A	545	522	46.57
19	A	508	486	73.85
20	A	429	411	4.29
21	A	44	42	0.67

Atom	x (Å)	y (Å)	z (Å)
C1	-1.370	-0.311	-0.000
C2	0.074	0.140	-0.010
N3	1.006	-0.862	0.001
O4	0.401	1.343	0.001
H5	-1.989	0.491	-0.403
H6	-1.529	-1.221	-0.587
H7	-1.693	-0.506	1.029
H8	1.982	-0.612	0.024
H9	0.755	-1.836	-0.011

	C1	C2	N3	O4	H5	H6	H7	H8	H9
C1		1.5130	2.4388	2.4229	1.0907	1.0948	1.0967	3.3651	2.6159
C2	1.5130		1.3687	1.2463	2.1300	2.1813	2.1497	2.0507	2.0906
N3	2.4388	1.3687		2.2868	3.3116	2.6267	2.9102	1.0079	1.0057
O4	2.4229	1.2463	2.2868		2.5695	3.2628	2.9769	2.5142	3.1990
H5	1.0907	2.1300	3.3116	2.5695		1.7829	1.7704	4.1436	3.6199
H6	1.0948	2.1813	2.6267	3.2628	1.7829		1.7752	3.6152	2.4346
H7	1.0967	2.1497	2.9102	2.9769	1.7704	1.7752		3.8115	2.9744
H8	3.3651	2.0507	1.0079	2.5142	4.1436	3.6152	3.8115		1.7335
H9	2.6159	2.0906	1.0057	3.1990	3.6199	2.4346	2.9744	1.7335

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	115.536	C1	C2	O4	122.538
C2	C1	H5	108.703	C2	C1	H6	112.546
C2	C1	H7	109.900	C2	N3	H8	118.495
C2	N3	H9	122.668	N3	C2	O4	121.910
H5	C1	H6	109.325	H5	C1	H7	108.069
H6	C1	H7	108.200	H8	N3	H9	118.836

All results from a given calculation for CH₃CONH₂ (Acetamide)

using model chemistry: B3PW91/6-31G

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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Number	Element	Mulliken
1	C	-0.556
2	C	0.516
3	N	-0.762
4	O	-0.469
5	H	0.210
6	H	0.167
7	H	0.200
8	H	0.353
9	H	0.342

	x	y	z	Total
	-0.241	-4.147	0.087	4.155
CHELPG
AIM
ESP

	x	y	z
x	0.000	0.000	0.000
y	0.000	0.000	0.000
z	0.000	0.000	0.000

<r²>	75.681
(<r²>)^1/2	8.699

All results from a given calculation for CH3CONH2 (Acetamide)

using model chemistry: B3PW91/6-31G

States and conformations

All results from a given calculation for CH₃CONH₂ (Acetamide)