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	hartrees
Energy at 0K	-207.988974
Energy at 298.15K	-207.994680
Nuclear repulsion energy	122.777064

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3993	3604	57.43
2	A	3851	3476	53.22
3	A	3322	2998	10.14
4	A	3258	2940	20.51
5	A	3195	2884	9.28
6	A	1984	1791	444.66
7	A	1779	1606	136.07
8	A	1612	1455	7.59
9	A	1600	1444	8.53
10	A	1550	1399	85.54
11	A	1455	1314	132.39
12	A	1229	1109	1.23
13	A	1161	1048	8.26
14	A	1071	966	13.44
15	A	911	823	0.32
16	A	694	626	22.67
17	A	599	541	22.09
18	A	559	505	4.57
19	A	448	404	3.76
20	A	127	115	283.15
21	A	19	17	2.94

Atom	x (Å)	y (Å)	z (Å)
C1	-1.362	-0.308	-0.000
C2	0.079	0.153	-0.004
N3	1.001	-0.842	-0.010
O4	0.390	1.310	0.002
H5	-2.004	0.553	-0.110
H6	-1.548	-1.008	-0.808
H7	-1.590	-0.807	0.937
H8	1.961	-0.593	0.031
H9	0.750	-1.800	0.032

	C1	C2	N3	O4	H5	H6	H7	H8	H9
C1		1.5130	2.4219	2.3844	1.0797	1.0852	1.0859	3.3351	2.5858
C2	1.5130		1.3560	1.1977	2.1243	2.1550	2.1430	2.0243	2.0651
N3	2.4219	1.3560		2.2368	3.3142	2.6755	2.7583	0.9932	0.9909
O4	2.3844	1.1977	2.2368		2.5134	3.1281	3.0453	2.4676	3.1305
H5	1.0797	2.1243	3.3142	2.5134		1.7700	1.7652	4.1298	3.6251
H6	1.0852	2.1550	2.6755	3.1281	1.7700		1.7568	3.6317	2.5717
H7	1.0859	2.1430	2.7583	3.0453	1.7652	1.7568		3.6708	2.6979
H8	3.3351	2.0243	0.9932	2.4676	4.1298	3.6317	3.6708		1.7097
H9	2.5858	2.0651	0.9909	3.1305	3.6251	2.5717	2.6979	1.7097

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	115.051	C1	C2	O4	122.763
C2	C1	H5	108.886	C2	C1	H6	111.008
C2	C1	H7	109.997	C2	N3	H8	118.200
C2	N3	H9	122.510	N3	C2	O4	122.186
H5	C1	H6	109.694	H5	C1	H7	109.201
H6	C1	H7	108.032	H8	N3	H9	119.024

All results from a given calculation for CH₃CONH₂ (Acetamide)

using model chemistry: HF/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	CHELPG
1	C	-0.434	-0.434
2	C	0.707	0.986
3	N	-0.751	-1.116
4	O	-0.592	-0.667
5	H	0.168	0.113
6	H	0.135	0.117
7	H	0.141	0.113
8	H	0.320	0.453
9	H	0.307	0.434

	x	y	z	Total
	-0.387	-4.036	0.160	4.058
CHELPG
AIM
ESP

	x	y	z
x	4.417	-0.020	0.001
y	-0.020	4.986	-0.003
z	0.001	-0.003	2.905

<r²>	74.058
(<r²>)^1/2	8.606

All results from a given calculation for CH3CONH2 (Acetamide)

using model chemistry: HF/6-31G**

States and conformations

All results from a given calculation for CH₃CONH₂ (Acetamide)