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	hartrees
Energy at 0K	-245.820077
Energy at 298.15K	-245.825877
HF Energy	-245.820077
Nuclear repulsion energy	164.274033

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3973	3570	54.56
2	A	3844	3453	67.27
3	A	3444	3094	3.80
4	A	3362	3021	14.58
5	A	3343	3004	11.95
6	A	1968	1769	353.92
7	A	1863	1674	59.01
8	A	1798	1616	150.16
9	A	1584	1423	109.96
10	A	1480	1329	72.82
11	A	1411	1267	138.41
12	A	1224	1100	6.24
13	A	1145	1029	35.49
14	A	1142	1026	6.61
15	A	1112	1000	21.19
16	A	907	815	52.97
17	A	889	799	5.70
18	A	672	604	21.90
19	A	653	587	10.18
20	A	513	460	9.58
21	A	504	453	6.49
22	A	302	272	7.95
23	A	180	162	254.08
24	A	101	91	60.32

Atom	x (Å)	y (Å)	z (Å)
C1	0.801	-0.644	-0.013
C2	-0.477	0.129	-0.005
N3	-1.600	-0.629	-0.015
O4	-0.514	1.329	-0.003
C5	1.963	-0.022	0.011
H6	0.746	-1.720	-0.040
H7	-2.477	-0.164	0.065
H8	-1.579	-1.614	0.105
H9	2.006	1.051	0.035
H10	2.893	-0.562	0.006

	C1	C2	N3	O4	C5	H6	H7	H8	H9	H10
C1		1.4941	2.4016	2.3714	1.3184	1.0768	3.3136	2.5722	2.0803	2.0933
C2	1.4941		1.3554	1.2000	2.4449	2.2171	2.0223	2.0650	2.6487	3.4398
N3	2.4016	1.3554		2.2388	3.6150	2.5878	0.9949	0.9927	3.9787	4.4937
O4	2.3714	1.2000	2.2388		2.8217	3.2987	2.4669	3.1311	2.5357	3.8962
C5	1.3184	2.4449	3.6150	2.8217		2.0892	4.4424	3.8840	1.0740	1.0748
H6	1.0768	2.2171	2.5878	3.2987	2.0892		3.5799	2.3315	3.0442	2.4393
H7	3.3136	2.0223	0.9949	2.4669	4.4424	3.5799		1.7057	4.6445	5.3843
H8	2.5722	2.0650	0.9927	3.1311	3.8840	2.3315	1.7057		4.4669	4.5943
H9	2.0803	2.6487	3.9787	2.5357	1.0740	3.0442	4.6445	4.4669		1.8404
H10	2.0933	3.4398	4.4937	3.8962	1.0748	2.4393	5.3843	4.5943	1.8404

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	114.794	C1	C2	O4	122.966
C1	C5	H9	120.466	C1	C5	H10	121.681
C2	C1	C5	120.627	C2	C1	H6	118.262
C2	N3	H7	117.919	C2	N3	H8	122.396
N3	C2	O4	122.236	C5	C1	H6	121.111
H7	N3	H8	118.224	H9	C5	H10	117.853

All results from a given calculation for CH₂CHCONH₂ (Acrylamide)

using model chemistry: HF/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	-0.271
2	C	0.757
3	N	-0.927
4	O	-0.614
5	C	-0.344
6	H	0.191
7	H	0.396
8	H	0.387
9	H	0.232
10	H	0.193

	x	y	z	Total
	-0.031	-3.708	0.379	3.728
CHELPG	-0.005	-3.746	0.435	3.771
AIM
ESP	0.014	-3.720	0.438	3.745

	x	y	z
x	7.802	0.803	0.024
y	0.803	5.912	0.032
z	0.024	0.032	2.398

<r²>	113.897
(<r²>)^1/2	10.672

All results from a given calculation for CH2CHCONH2 (Acrylamide)

using model chemistry: HF/6-31G*

States and conformations

All results from a given calculation for CH₂CHCONH₂ (Acrylamide)