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	hartrees
Energy at 0K	-209.185922
Energy at 298.15K	-209.191611
Nuclear repulsion energy	122.056733

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3766	3616	36.27
2	A	3625	3480	34.04
3	A	3161	3035	10.24
4	A	3143	3018	14.57
5	A	3065	2943	7.49
6	A	1820	1747	353.74
7	A	1623	1558	119.47
8	A	1487	1428	12.91
9	A	1465	1407	8.99
10	A	1397	1341	104.79
11	A	1349	1295	71.85
12	A	1122	1077	0.45
13	A	1048	1006	5.96
14	A	981	941	7.38
15	A	853	819	2.11
16	A	677	650	12.53
17	A	544	522	14.67
18	A	521	500	7.71
19	A	423	406	4.08
20	A	202	194	201.34
21	A	27	26	8.11

Atom	x (Å)	y (Å)	z (Å)
C1	-1.354	-0.341	-0.000
C2	0.077	0.148	-0.005
N3	1.025	-0.828	-0.008
O4	0.358	1.326	0.001
H5	-1.912	0.221	-0.748
H6	-1.459	-1.408	-0.197
H7	-1.793	-0.117	0.973
H8	1.991	-0.550	0.030
H9	0.798	-1.804	0.020

	C1	C2	N3	O4	H5	H6	H7	H8	H9
C1		1.5122	2.4289	2.3899	1.0886	1.0900	1.0908	3.3518	2.6024
C2	1.5122		1.3608	1.2117	2.1238	2.1942	2.1268	2.0376	2.0808
N3	2.4289	1.3608		2.2555	3.2054	2.5577	3.0674	1.0053	1.0024
O4	2.3899	1.2117	2.2555		2.6332	3.2887	2.7666	2.4879	3.1611
H5	1.0886	2.1238	3.2054	2.6332		1.7782	1.7574	4.0534	3.4688
H6	1.0900	2.1942	2.5577	3.2887	1.7782		1.7740	3.5616	2.3012
H7	1.0908	2.1268	3.0674	2.7666	1.7574	1.7740		3.9233	3.2349
H8	3.3518	2.0376	1.0053	2.4879	4.0534	3.5616	3.9233		1.7305
H9	2.6024	2.0808	1.0024	3.1611	3.4688	2.3012	3.2349	1.7305

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	115.332	C1	C2	O4	122.267
C2	C1	H5	108.389	C2	C1	H6	113.971
C2	C1	H7	108.499	C2	N3	H8	118.117
C2	N3	H9	122.676	N3	C2	O4	122.399
H5	C1	H6	109.419	H5	C1	H7	107.492
H6	C1	H7	108.873	H8	N3	H9	119.059

All results from a given calculation for CH₃CONH₂ (Acetamide)

using model chemistry: B1B95/6-311G**

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	-0.365
2	C	0.312
3	N	-0.475
4	O	-0.366
5	H	0.156
6	H	0.112
7	H	0.155
8	H	0.240
9	H	0.232

	x	y	z	Total
	-0.049	-3.756	0.129	3.759
CHELPG
AIM
ESP

	x	y	z
x	5.414	-0.189	0.002
y	-0.189	5.533	-0.002
z	0.002	-0.002	3.330

<r²>	74.571
(<r²>)^1/2	8.635

All results from a given calculation for CH3CONH2 (Acetamide)

using model chemistry: B1B95/6-311G**

States and conformations

All results from a given calculation for CH₃CONH₂ (Acetamide)