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	hartrees
Energy at 0K	-209.150848
Energy at 298.15K	-209.156618
Nuclear repulsion energy	121.424582

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3726	3595	34.42
2	A	3583	3458	27.85
3	A	3186	3074	4.18
4	A	3133	3023	9.87
5	A	3053	2946	6.32
6	A	1822	1758	311.96
7	A	1595	1539	109.45
8	A	1455	1404	9.60
9	A	1440	1390	11.21
10	A	1392	1343	122.01
11	A	1327	1280	37.59
12	A	1120	1081	0.43
13	A	1036	1000	5.17
14	A	967	933	5.43
15	A	854	824	2.47
16	A	646	623	10.72
17	A	555	536	16.90
18	A	513	495	7.54
19	A	415	401	3.88
20	A	251	243	198.02
21	A	49	48	0.17

Atom	x (Å)	y (Å)	z (Å)
C1	-1.370	-0.296	-0.001
C2	0.079	0.152	-0.006
N3	0.994	-0.867	-0.041
O4	0.413	1.323	0.007
H5	-2.006	0.563	-0.247
H6	-1.551	-1.110	-0.719
H7	-1.647	-0.661	1.002
H8	1.965	-0.617	0.104
H9	0.722	-1.824	0.137

	C1	C2	N3	O4	H5	H6	H7	H8	H9
C1		1.5168	2.4329	2.4090	1.0962	1.1008	1.1024	3.3529	2.5949
C2	1.5168		1.3699	1.2181	2.1383	2.1813	2.1572	2.0403	2.0828
N3	2.4329	1.3699		2.2658	3.3296	2.6454	2.8469	1.0132	1.0108
O4	2.4090	1.2181	2.2658		2.5485	3.2104	3.0283	2.4863	3.1646
H5	1.0962	2.1383	3.3296	2.5485		1.7968	1.7850	4.1576	3.6451
H6	1.1008	2.1813	2.6454	3.2104	1.7968		1.7816	3.6452	2.5321
H7	1.1024	2.1572	2.8469	3.0283	1.7850	1.7816		3.7223	2.7774
H8	3.3529	2.0403	1.0132	2.4863	4.1576	3.6452	3.7223		1.7328
H9	2.5949	2.0828	1.0108	3.1646	3.6451	2.5321	2.7774	1.7328

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	114.780	C1	C2	O4	123.115
C2	C1	H5	108.771	C2	C1	H6	111.899
C2	C1	H7	109.891	C2	N3	H8	116.987
C2	N3	H9	121.318	N3	C2	O4	122.101
H5	C1	H6	109.733	H5	C1	H7	108.560
H6	C1	H7	107.930	H8	N3	H9	117.764

All results from a given calculation for CH₃CONH₂ (Acetamide)

using model chemistry: B3PW91/cc-pVDZ

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	-0.083
2	C	0.066
3	N	-0.127
4	O	-0.270
5	H	0.070
6	H	0.056
7	H	0.070
8	H	0.114
9	H	0.104

	x	y	z	Total
	-0.180	-3.658	0.494	3.696
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>	74.939
(<r²>)^1/2	8.657

All results from a given calculation for CH3CONH2 (Acetamide)

using model chemistry: B3PW91/cc-pVDZ

States and conformations

All results from a given calculation for CH₃CONH₂ (Acetamide)