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	hartrees
Energy at 0K	-247.210597
Energy at 298.15K	-247.216059
Nuclear repulsion energy	163.609607

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3785	3625	41.25
2	A	3642	3488	51.00
3	A	3273	3134	1.81
4	A	3182	3047	11.87
5	A	3167	3033	7.08
6	A	1819	1742	231.05
7	A	1715	1643	26.21
8	A	1614	1546	130.43
9	A	1433	1373	102.38
10	A	1363	1305	43.49
11	A	1286	1231	63.43
12	A	1111	1064	1.37
13	A	1027	983	2.61
14	A	1025	982	27.06
15	A	1000	958	8.76
16	A	829	794	18.59
17	A	821	786	4.88
18	A	628	601	3.71
19	A	612	586	10.57
20	A	475	455	6.18
21	A	459	440	5.31
22	A	279	267	7.13
23	A	137	131	39.99
24	A	84	81	153.10

Atom	x (Å)	y (Å)	z (Å)
C1	-0.793	-0.658	-0.000
C2	0.473	0.130	-0.000
N3	1.604	-0.626	-0.000
O4	0.498	1.343	-0.000
C5	-1.960	-0.028	0.000
H6	-0.732	-1.742	-0.000
H7	2.491	-0.156	0.001
H8	1.584	-1.628	0.001
H9	-1.973	1.056	0.000
H10	-2.905	-0.557	0.000

	C1	C2	N3	O4	C5	H6	H7	H8	H9	H10
C1		1.4906	2.3973	2.3815	1.3259	1.0862	3.3225	2.5667	2.0807	2.1141
C2	1.4906		1.3604	1.2141	2.4378	2.2262	2.0388	2.0788	2.6150	3.4465
N3	2.3973	1.3604		2.2587	3.6138	2.5894	1.0040	1.0019	3.9525	4.5093
O4	2.3815	1.2141	2.2587		2.8148	3.3219	2.4944	3.1631	2.4873	3.8976
C5	1.3259	2.4378	3.6138	2.8148		2.1082	4.4532	3.8876	1.0846	1.0828
H6	1.0862	2.2262	2.5894	3.3219	2.1082		3.5928	2.3186	3.0609	2.4744
H7	3.3225	2.0388	1.0040	2.4944	4.4532	3.5928		1.7291	4.6257	5.4110
H8	2.5667	2.0788	1.0019	3.1631	3.8876	2.3186	1.7291		4.4552	4.6139
H9	2.0807	2.6150	3.9525	2.4873	1.0846	3.0609	4.6257	4.4552		1.8634
H10	2.1141	3.4465	4.5093	3.8976	1.0828	2.4744	5.4110	4.6139	1.8634

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	114.383	C1	C2	O4	123.078
C1	C5	H9	119.013	C1	C5	H10	122.405
C2	C1	C5	119.776	C2	C1	H6	118.685
C2	N3	H7	118.368	C2	N3	H8	122.550
N3	C2	O4	122.538	C5	C1	H6	121.540
H7	N3	H8	119.082	H9	C5	H10	118.582

All results from a given calculation for CH₂CHCONH₂ (Acrylamide)

using model chemistry: B1B95/6-31G(2df,p)

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	-0.120
2	C	0.437
3	N	-0.573
4	O	-0.381
5	C	-0.299
6	H	0.100
7	H	0.275
8	H	0.271
9	H	0.158
10	H	0.133

	x	y	z	Total
	0.556	-3.405	0.004	3.450
CHELPG
AIM
ESP

	x	y	z
x	8.827	-0.714	0.000
y	-0.714	6.540	0.000
z	0.000	0.000	3.147

<r²>	113.803
(<r²>)^1/2	10.668

All results from a given calculation for CH2CHCONH2 (Acrylamide)

using model chemistry: B1B95/6-31G(2df,p)

States and conformations

All results from a given calculation for CH₂CHCONH₂ (Acrylamide)