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	hartrees
Energy at 0K	-245.909665
Energy at 298.15K	-245.915395
HF Energy	-245.909665
Nuclear repulsion energy	164.516659

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3968	3606	60.10
2	A	3830	3480	72.53
3	A	3397	3087	2.25
4	A	3322	3018	12.44
5	A	3301	3000	7.78
6	A	1929	1753	407.45
7	A	1836	1668	57.12
8	A	1774	1612	148.47
9	A	1565	1422	110.45
10	A	1462	1328	60.72
11	A	1395	1267	171.06
12	A	1213	1102	6.12
13	A	1142	1038	32.08
14	A	1132	1029	8.81
15	A	1097	997	32.53
16	A	900	818	36.32
17	A	874	794	5.79
18	A	673	611	15.22
19	A	641	583	4.49
20	A	506	460	10.01
21	A	506	460	5.09
22	A	301	273	8.05
23	A	147	134	178.25
24	A	84	76	79.26

Atom	x (Å)	y (Å)	z (Å)
C1	0.804	-0.639	-0.018
C2	-0.478	0.130	-0.016
N3	-1.595	-0.630	0.025
O4	-0.520	1.325	-0.006
C5	1.962	-0.020	0.011
H6	0.748	-1.714	-0.024
H7	-2.476	-0.174	0.013
H8	-1.568	-1.617	-0.038
H9	2.007	1.053	0.037
H10	2.889	-0.563	0.029

	C1	C2	N3	O4	C5	H6	H7	H8	H9	H10
C1		1.4948	2.3994	2.3688	1.3145	1.0755	3.3132	2.5650	2.0773	2.0868
C2	1.4948		1.3521	1.1954	2.4449	2.2139	2.0218	2.0590	2.6508	3.4373
N3	2.3994	1.3521		2.2308	3.6097	2.5822	0.9923	0.9890	3.9757	4.4844
O4	2.3688	1.1954	2.2308		2.8235	3.2924	2.4639	3.1223	2.5419	3.8972
C5	1.3145	2.4449	3.6097	2.8235		2.0846	4.4415	3.8750	1.0740	1.0742
H6	1.0755	2.2139	2.5822	3.2924	2.0846		3.5735	2.3179	3.0401	2.4305
H7	3.3132	2.0218	0.9923	2.4639	4.4415	3.5735		1.7060	4.6478	5.3792
H8	2.5650	2.0590	0.9890	3.1223	3.8750	2.3179	1.7060		4.4620	4.5796
H9	2.0773	2.6508	3.9757	2.5419	1.0740	3.0401	4.6478	4.4620		1.8417
H10	2.0868	3.4373	4.4844	3.8972	1.0742	2.4305	5.3792	4.5796	1.8417

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	114.788	C1	C2	O4	123.034
C1	C5	H9	120.516	C1	C5	H10	121.441
C2	C1	C5	120.857	C2	C1	H6	118.021
C2	N3	H7	118.367	C2	N3	H8	122.403
N3	C2	O4	122.134	C5	C1	H6	121.112
H7	N3	H8	118.863	H9	C5	H10	118.031

All results from a given calculation for CH₂CHCONH₂ (Acrylamide)

using model chemistry: HF/TZVP

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	-0.156
2	C	0.352
3	N	-0.413
4	O	-0.469
5	C	-0.193
6	H	0.118
7	H	0.256
8	H	0.242
9	H	0.149
10	H	0.114

	x	y	z	Total
	0.001	-3.827	0.001	3.827
CHELPG
AIM
ESP

	x	y	z
x	8.316	0.902	0.000
y	0.902	6.434	0.000
z	0.000	0.000	3.897

<r²>	114.104
(<r²>)^1/2	10.682

All results from a given calculation for CH2CHCONH2 (Acrylamide)

using model chemistry: HF/TZVP

States and conformations

All results from a given calculation for CH₂CHCONH₂ (Acrylamide)