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	hartrees
Energy at 0K	-207.984493
Energy at 298.15K	-207.990627
Nuclear repulsion energy	120.770062

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3690	3547	28.43
2	A	3557	3419	25.69
3	A	3190	3066	4.13
4	A	3130	3008	10.33
5	A	3065	2946	4.80
6	A	1777	1708	227.58
7	A	1673	1608	73.44
8	A	1549	1489	12.04
9	A	1524	1465	16.34
10	A	1423	1368	39.83
11	A	1355	1302	170.16
12	A	1144	1100	0.22
13	A	1089	1046	16.49
14	A	1004	965	5.65
15	A	826	794	2.45
16	A	685	659	78.57
17	A	550	529	95.58
18	A	543	522	11.18
19	A	495	476	168.31
20	A	416	400	3.59
21	A	81	78	0.15

Atom	x (Å)	y (Å)	z (Å)
C1	-1.386	-0.234	0.000
C2	0.090	0.154	-0.000
N3	0.932	-0.927	0.000
O4	0.496	1.323	-0.000
H5	-1.982	0.679	-0.000
H6	-1.628	-0.828	-0.890
H7	-1.628	-0.827	0.890
H8	1.932	-0.762	0.000
H9	0.593	-1.879	-0.000

	C1	C2	N3	O4	H5	H6	H7	H8	H9
C1		1.5263	2.4188	2.4425	1.0907	1.0967	1.0967	3.3591	2.5727
C2	1.5263		1.3700	1.2370	2.1374	2.1702	2.1702	2.0569	2.0944
N3	2.4188	1.3700		2.2913	3.3268	2.7124	2.7125	1.0131	1.0109
O4	2.4425	1.2370	2.2913		2.5600	3.1511	3.1510	2.5315	3.2033
H5	1.0907	2.1374	3.3268	2.5600		1.7852	1.7852	4.1703	3.6292
H6	1.0967	2.1702	2.7124	3.1511	1.7852		1.7802	3.6701	2.6135
H7	1.0967	2.1702	2.7125	3.1510	1.7852	1.7802		3.6702	2.6138
H8	3.3591	2.0569	1.0131	2.5315	4.1703	3.6701	3.6702		1.7435
H9	2.5727	2.0944	1.0109	3.2033	3.6292	2.6135	2.6138	1.7435

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	113.155	C1	C2	O4	123.903
C2	C1	H5	108.367	C2	C1	H6	110.588
C2	C1	H7	110.588	C2	N3	H8	118.571
C2	N3	H9	122.487	N3	C2	O4	122.942
H5	C1	H6	109.390	H5	C1	H7	109.392
H6	C1	H7	108.499	H8	N3	H9	118.942

All results from a given calculation for CH₃CONH₂ (Acetamide)

using model chemistry: B3PW91/3-21G

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	-0.710
2	C	0.619
3	N	-0.785
4	O	-0.503
5	H	0.254
6	H	0.231
7	H	0.231
8	H	0.335
9	H	0.328

	x	y	z	Total
	-0.302	-3.824	0.000	3.835
CHELPG
AIM
ESP

<r²>	75.477
(<r²>)^1/2	8.688

All results from a given calculation for CH3CONH2 (Acetamide)

using model chemistry: B3PW91/3-21G

States and conformations

All results from a given calculation for CH₃CONH₂ (Acetamide)