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	hartrees
Energy at 0K	-247.303117
Energy at 298.15K	-247.308549
Nuclear repulsion energy	162.562530

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3750	3603	35.85
2	A	3610	3468	44.37
3	A	3263	3135	3.18
4	A	3172	3047	10.16
5	A	3157	3033	11.29
6	A	1795	1725	224.69
7	A	1708	1641	33.68
8	A	1625	1562	126.26
9	A	1447	1390	81.28
10	A	1364	1310	46.97
11	A	1295	1244	92.63
12	A	1116	1072	2.33
13	A	1038	998	3.56
14	A	1021	981	30.34
15	A	991	953	9.34
16	A	818	786	6.24
17	A	814	782	22.66
18	A	622	597	9.29
19	A	613	589	8.39
20	A	471	453	7.86
21	A	466	447	5.34
22	A	279	268	7.33
23	A	137	131	41.94
24	A	77	74	193.58

Atom	x (Å)	y (Å)	z (Å)
C1	-0.801	-0.654	-0.004
C2	0.476	0.128	-0.001
N3	1.612	-0.636	-0.010
O4	0.512	1.352	-0.000
C5	-1.977	-0.027	0.004
H6	-0.744	-1.741	-0.014
H7	2.501	-0.161	0.031
H8	1.594	-1.640	0.051
H9	-2.005	1.059	0.012
H10	-2.918	-0.567	0.002

	C1	C2	N3	O4	C5	H6	H7	H8	H9	H10
C1		1.4968	2.4131	2.3976	1.3329	1.0886	3.3382	2.5903	2.0939	2.1187
C2	1.4968		1.3694	1.2247	2.4574	2.2313	2.0458	2.0927	2.6500	3.4637
N3	2.4131	1.3694		2.2719	3.6405	2.6021	1.0081	1.0066	3.9950	4.5305
O4	2.3976	1.2247	2.2719		2.8457	3.3383	2.4987	3.1822	2.5349	3.9305
C5	1.3329	2.4574	3.6405	2.8457		2.1119	4.4796	3.9185	1.0858	1.0850
H6	1.0886	2.2313	2.6021	3.3383	2.1119		3.6087	2.3402	3.0710	2.4708
H7	3.3382	2.0458	1.0081	2.4987	4.4796	3.6087		1.7354	4.6683	5.4336
H8	2.5903	2.0927	1.0066	3.1822	3.9185	2.3402	1.7354		4.4989	4.6374
H9	2.0939	2.6500	3.9950	2.5349	1.0858	3.0710	4.6683	4.4989		1.8644
H10	2.1187	3.4637	4.5305	3.9305	1.0850	2.4708	5.4336	4.6374	1.8644

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	114.616	C1	C2	O4	123.208
C1	C5	H9	119.575	C1	C5	H10	122.051
C2	C1	C5	120.444	C2	C1	H6	118.470
C2	N3	H7	117.936	C2	N3	H8	122.739
N3	C2	O4	122.174	C5	C1	H6	121.085
H7	N3	H8	118.945	H9	C5	H10	118.373

All results from a given calculation for CH₂CHCONH₂ (Acrylamide)

using model chemistry: B3LYP/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
1	C	-0.095
2	C	0.563
3	N	-0.617
4	O	-0.516
5	C	-0.206
6	H	0.079
7	H	0.278
8	H	0.267
9	H	0.139
10	H	0.106

	x	y	z	Total
	0.456	-3.481	0.164	3.515
CHELPG
AIM
ESP

	x	y	z
x	8.695	-0.786	-0.002
y	-0.786	6.437	0.006
z	-0.002	0.006	2.500

<r²>	115.348
(<r²>)^1/2	10.740

All results from a given calculation for CH2CHCONH2 (Acrylamide)

using model chemistry: B3LYP/6-31G**

States and conformations

All results from a given calculation for CH₂CHCONH₂ (Acrylamide)