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	hartrees
Energy at 0K	-209.049197
Energy at 298.15K	-209.054710
Nuclear repulsion energy	121.082698

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3645	3620	25.91
2	A	3507	3482	19.68
3	A	3067	3046	9.45
4	A	3059	3038	11.81
5	A	2984	2963	8.66
6	A	1725	1713	299.94
7	A	1559	1549	92.78
8	A	1440	1430	9.07
9	A	1420	1410	7.53
10	A	1342	1333	69.44
11	A	1302	1293	90.95
12	A	1079	1072	0.16
13	A	1011	1004	3.09
14	A	946	939	6.72
15	A	821	815	3.13
16	A	657	652	6.44
17	A	524	521	11.75
18	A	508	504	6.29
19	A	416	413	4.62
20	A	121	120	160.79
21	A	41	41	10.21

Atom	x (Å)	y (Å)	z (Å)
C1	-1.365	-0.340	-0.000
C2	0.076	0.146	-0.002
N3	1.030	-0.837	-0.004
O4	0.366	1.337	0.001
H5	-1.894	0.139	-0.833
H6	-1.472	-1.429	-0.083
H7	-1.845	-0.003	0.928
H8	2.004	-0.559	0.014
H9	0.799	-1.821	0.010

	C1	C2	N3	O4	H5	H6	H7	H8	H9
C1		1.5208	2.4458	2.4100	1.0970	1.0978	1.0980	3.3762	2.6217
C2	1.5208		1.3700	1.2258	2.1386	2.2106	2.1399	2.0533	2.0957
N3	2.4458	1.3700		2.2738	3.1926	2.5726	3.1351	1.0134	1.0107
O4	2.4100	1.2258	2.2738		2.6906	3.3226	2.7469	2.5065	3.1878
H5	1.0970	2.1386	3.1926	2.6906		1.7890	1.7674	4.0504	3.4356
H6	1.0978	2.2106	2.5726	3.3226	1.7890		1.7871	3.5851	2.3062
H7	1.0980	2.1399	3.1351	2.7469	1.7674	1.7871		3.9952	3.3369
H8	3.3762	2.0533	1.0134	2.5065	4.0504	3.5851	3.9952		1.7452
H9	2.6217	2.0957	1.0107	3.1878	3.4356	2.3062	3.3369	1.7452

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	115.472	C1	C2	O4	122.313
C2	C1	H5	108.473	C2	C1	H6	114.206
C2	C1	H7	108.520	C2	N3	H8	118.197
C2	N3	H9	122.637	N3	C2	O4	122.215
H5	C1	H6	109.197	H5	C1	H7	107.260
H6	C1	H7	108.961	H8	N3	H9	119.133

All results from a given calculation for CH₃CONH₂ (Acetamide)

using model chemistry: PBEPBE/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	-0.298
2	C	0.173
3	N	-0.189
4	O	-0.304
5	H	0.122
6	H	0.076
7	H	0.122
8	H	0.153
9	H	0.145

	x	y	z	Total
	-0.012	-3.709	0.053	3.709
CHELPG
AIM
ESP

	x	y	z
x	6.296	-0.220	0.001
y	-0.220	6.213	-0.001
z	0.001	-0.001	3.887

<r²>	75.705
(<r²>)^1/2	8.701

All results from a given calculation for CH3CONH2 (Acetamide)

using model chemistry: PBEPBE/cc-pVTZ

States and conformations

All results from a given calculation for CH₃CONH₂ (Acetamide)