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	hartrees
Energy at 0K	-245.861913
Energy at 298.15K	-245.867619
Nuclear repulsion energy	163.935956

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3972	3617	56.85
2	A	3828	3486	69.06
3	A	3411	3106	1.98
4	A	3332	3034	11.88
5	A	3308	3012	8.37
6	A	1911	1740	390.51
7	A	1836	1672	57.86
8	A	1761	1604	141.13
9	A	1553	1414	126.00
10	A	1454	1324	64.80
11	A	1385	1261	131.91
12	A	1202	1095	6.50
13	A	1135	1033	31.52
14	A	1122	1022	6.00
15	A	1087	989	28.14
16	A	900	820	31.10
17	A	879	800	4.40
18	A	663	603	19.49
19	A	645	588	3.95
20	A	510	465	11.49
21	A	500	455	6.01
22	A	297	271	7.94
23	A	134	122	80.82
24	A	86	78	140.57

Atom	x (Å)	y (Å)	z (Å)
C1	-0.803	-0.643	-0.005
C2	0.479	0.130	-0.002
N3	1.602	-0.631	-0.009
O4	0.520	1.330	-0.001
C5	-1.970	-0.020	0.004
H6	-0.748	-1.723	-0.015
H7	2.484	-0.172	0.032
H8	1.570	-1.621	0.051
H9	-2.015	1.059	0.013
H10	-2.900	-0.570	0.002

	C1	C2	N3	O4	C5	H6	H7	H8	H9	H10
C1		1.4963	2.4051	2.3752	1.3232	1.0822	3.3206	2.5677	2.0893	2.0989
C2	1.4963		1.3567	1.2011	2.4537	2.2225	2.0280	2.0640	2.6612	3.4509
N3	2.4051	1.3567		2.2398	3.6245	2.5919	0.9951	0.9927	3.9924	4.5031
O4	2.3752	1.2011	2.2398		2.8328	3.3064	2.4725	3.1331	2.5493	3.9129
C5	1.3232	2.4537	3.6245	2.8328		2.0966	4.4570	3.8863	1.0801	1.0806
H6	1.0822	2.2225	2.5919	3.3064	2.0966		3.5857	2.3218	3.0574	2.4418
H7	3.3206	2.0280	0.9951	2.4725	4.4570	3.5857		1.7136	4.6641	5.3992
H8	2.5677	2.0640	0.9927	3.1331	3.8863	2.3218	1.7136		4.4765	4.5930
H9	2.0893	2.6612	3.9924	2.5493	1.0801	3.0574	4.6641	4.4765		1.8545
H10	2.0989	3.4509	4.5031	3.9129	1.0806	2.4418	5.3992	4.5930	1.8545

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	114.826	C1	C2	O4	123.045
C1	C5	H9	120.429	C1	C5	H10	121.321
C2	C1	C5	120.854	C2	C1	H6	118.178
C2	N3	H7	118.345	C2	N3	H8	122.168
N3	C2	O4	122.128	C5	C1	H6	120.968
H7	N3	H8	119.101	H9	C5	H10	118.250

All results from a given calculation for CH₂CHCONH₂ (Acrylamide)

using model chemistry: HF/aug-cc-pVDZ

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	0.869
2	C	0.697
3	N	-0.198
4	O	-0.774
5	C	0.476
6	H	-0.550
7	H	-0.015
8	H	-0.041
9	H	-0.224
10	H	-0.241

	x	y	z	Total
	0.041	-3.766	0.159	3.769
CHELPG
AIM
ESP

	x	y	z
x	0.000	0.000	0.000
y	0.000	0.000	0.000
z	0.000	0.000	0.000

<r²>	114.796
(<r²>)^1/2	10.714

All results from a given calculation for CH2CHCONH2 (Acrylamide)

using model chemistry: HF/aug-cc-pVDZ

States and conformations

All results from a given calculation for CH₂CHCONH₂ (Acrylamide)