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	hartrees
Energy at 0K	-245.876954
Energy at 298.15K	-245.882584
Nuclear repulsion energy	164.457274

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3994	3612	41.95
2	A	3860	3491	55.87
3	A	3412	3086	5.61
4	A	3333	3014	17.12
5	A	3313	2996	14.58
6	A	1948	1762	390.71
7	A	1846	1669	59.12
8	A	1809	1636	142.50
9	A	1573	1422	114.79
10	A	1468	1327	66.64
11	A	1402	1268	146.81
12	A	1221	1104	7.52
13	A	1138	1029	7.64
14	A	1132	1023	36.97
15	A	1103	998	25.76
16	A	911	824	45.94
17	A	881	797	5.55
18	A	671	607	18.01
19	A	657	594	5.94
20	A	511	463	11.37
21	A	503	455	5.79
22	A	302	273	7.94
23	A	132	119	56.35
24	A	43	39	236.53

Atom	x (Å)	y (Å)	z (Å)
C1	-0.801	-0.643	-0.006
C2	0.478	0.132	-0.002
N3	1.600	-0.628	-0.009
O4	0.514	1.326	-0.001
C5	-1.963	-0.023	0.005
H6	-0.747	-1.719	-0.020
H7	2.478	-0.170	0.035
H8	1.576	-1.614	0.055
H9	-2.008	1.051	0.017
H10	-2.892	-0.564	0.003

	C1	C2	N3	O4	C5	H6	H7	H8	H9	H10
C1		1.4959	2.4007	2.3677	1.3173	1.0770	3.3131	2.5684	2.0799	2.0925
C2	1.4959		1.3547	1.1943	2.4461	2.2201	2.0228	2.0636	2.6504	3.4414
N3	2.4007	1.3547		2.2353	3.6136	2.5883	0.9912	0.9889	3.9789	4.4920
O4	2.3677	1.1943	2.2353		2.8201	3.2957	2.4695	3.1268	2.5367	3.8950
C5	1.3173	2.4461	3.6136	2.8201		2.0867	4.4434	3.8806	1.0743	1.0752
H6	1.0770	2.2201	2.5883	3.2957	2.0867		3.5782	2.3270	3.0429	2.4357
H7	3.3131	2.0228	0.9912	2.4695	4.4434	3.5782		1.7026	4.6490	5.3844
H8	2.5684	2.0636	0.9889	3.1268	3.8806	2.3270	1.7026		4.4662	4.5899
H9	2.0799	2.6504	3.9789	2.5367	1.0743	3.0429	4.6490	4.4662		1.8409
H10	2.0925	3.4414	4.4920	3.8950	1.0752	2.4357	5.3844	4.5899	1.8409

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	114.653	C1	C2	O4	122.922
C1	C5	H9	120.499	C1	C5	H10	121.670
C2	C1	C5	120.679	C2	C1	H6	118.372
C2	N3	H7	118.316	C2	N3	H8	122.650
N3	C2	O4	122.424	C5	C1	H6	120.950
H7	N3	H8	118.604	H9	C5	H10	117.831

All results from a given calculation for CH₂CHCONH₂ (Acrylamide)

using model chemistry: HF/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	CHELPG	ESP
1	C	-0.395	-0.341	-0.402
2	C	0.687	1.009	0.949
3	N	-0.915	-1.136	-1.115
4	O	-0.492	-0.669	-0.630
5	C	-0.355	-0.245	-0.264
6	H	0.211	0.151	0.191
7	H	0.386	0.462	0.464
8	H	0.380	0.445	0.446
9	H	0.261	0.166	0.182
10	H	0.232	0.159	0.178

	x	y	z	Total
	0.115	-3.749	0.196	3.756
CHELPG
AIM
ESP	0.092	-3.758	0.242	3.767

	x	y	z
x	8.024	-0.848	-0.009
y	-0.848	6.049	0.013
z	-0.009	0.013	3.003

<r²>	113.931
(<r²>)^1/2	10.674

All results from a given calculation for CH2CHCONH2 (Acrylamide)

using model chemistry: HF/6-311G*

States and conformations

All results from a given calculation for CH₂CHCONH₂ (Acrylamide)