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	hartrees
Energy at 0K	-209.226708
Energy at 298.15K	-209.232554
Nuclear repulsion energy	121.155727

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3690	3580	26.60
2	A	3555	3448	22.49
3	A	3162	3068	5.58
4	A	3107	3013	12.82
5	A	3038	2947	7.13
6	A	1805	1751	299.25
7	A	1595	1547	94.79
8	A	1457	1413	8.17
9	A	1443	1399	9.52
10	A	1386	1344	101.46
11	A	1327	1287	61.30
12	A	1124	1091	0.55
13	A	1039	1008	4.56
14	A	969	940	7.30
15	A	846	821	3.07
16	A	642	623	13.61
17	A	556	540	17.74
18	A	510	494	9.07
19	A	417	404	4.63
20	A	302	293	192.91
21	A	57	55	0.22

Atom	x (Å)	y (Å)	z (Å)
C1	-1.375	-0.297	-0.001
C2	0.079	0.153	-0.006
N3	0.998	-0.869	-0.048
O4	0.414	1.325	0.008
H5	-2.011	0.558	-0.262
H6	-1.551	-1.122	-0.709
H7	-1.654	-0.649	1.007
H8	1.966	-0.617	0.119
H9	0.725	-1.821	0.161

	C1	C2	N3	O4	H5	H6	H7	H8	H9
C1		1.5220	2.4412	2.4149	1.0969	1.1016	1.1033	3.3585	2.5997
C2	1.5220		1.3750	1.2193	2.1440	2.1854	2.1621	2.0419	2.0838
N3	2.4412	1.3750		2.2714	3.3368	2.6449	2.8629	1.0146	1.0124
O4	2.4149	1.2193	2.2714		2.5576	3.2194	3.0290	2.4886	3.1655
H5	1.0969	2.1440	3.3368	2.5576		1.7985	1.7868	4.1643	3.6500
H6	1.1016	2.1854	2.6449	3.2194	1.7985		1.7827	3.6482	2.5344
H7	1.1033	2.1621	2.8629	3.0290	1.7868	1.7827		3.7282	2.7837
H8	3.3585	2.0419	1.0146	2.4886	4.1643	3.6482	3.7282		1.7303
H9	2.5997	2.0838	1.0124	3.1655	3.6500	2.5344	2.7837	1.7303

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	114.757	C1	C2	O4	123.134
C2	C1	H5	108.824	C2	C1	H6	111.811
C2	C1	H7	109.859	C2	N3	H8	116.606
C2	N3	H9	120.827	N3	C2	O4	122.103
H5	C1	H6	109.782	H5	C1	H7	108.609
H6	C1	H7	107.902	H8	N3	H9	117.215

All results from a given calculation for CH₃CONH₂ (Acetamide)

using model chemistry: B3LYP/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	-0.012
2	C	0.040
3	N	-0.085
4	O	-0.253
5	H	0.045
6	H	0.032
7	H	0.047
8	H	0.098
9	H	0.088

	x	y	z	Total
	-0.187	-3.583	0.560	3.631
CHELPG
AIM
ESP

	x	y	z
x	5.316	-0.106	0.033
y	-0.106	5.468	-0.027
z	0.033	-0.027	3.170

<r²>	75.347
(<r²>)^1/2	8.680

All results from a given calculation for CH3CONH2 (Acetamide)

using model chemistry: B3LYP/cc-pVDZ

States and conformations

All results from a given calculation for CH₃CONH₂ (Acetamide)