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	hartrees
Energy at 0K	-247.031730
Energy at 298.15K	-247.037413
HF Energy	-246.793277
Nuclear repulsion energy	162.524905

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3742	3552	34.63
2	A	3613	3430	46.96
3	A	3300	3133	3.19
4	A	3211	3048	9.56
5	A	3196	3034	10.23
6	A	1797	1706	213.72
7	A	1714	1627	30.81
8	A	1661	1577	108.71
9	A	1474	1399	81.29
10	A	1381	1311	53.32
11	A	1314	1248	87.82
12	A	1133	1075	4.59
13	A	1059	1005	3.84
14	A	1026	974	34.21
15	A	986	936	10.92
16	A	832	790	6.84
17	A	810	768	27.63
18	A	626	595	22.58
19	A	608	578	6.18
20	A	475	451	10.71
21	A	467	443	12.65
22	A	282	267	8.36
23	A	260	247	251.77
24	A	114	108	10.74

Atom	x (Å)	y (Å)	z (Å)
C1	-0.798	-0.656	0.012
C2	0.479	0.133	0.015
N3	1.612	-0.637	-0.024
O4	0.508	1.356	0.007
C5	-1.978	-0.030	-0.010
H6	-0.737	-1.742	0.039
H7	2.506	-0.169	-0.013
H8	1.594	-1.642	0.041
H9	-2.017	1.054	-0.034
H10	-2.916	-0.574	-0.024

	C1	C2	N3	O4	C5	H6	H7	H8	H9	H10
C1		1.5004	2.4098	2.3990	1.3356	1.0881	3.3392	2.5871	2.1006	2.1203
C2	1.5004		1.3704	1.2240	2.4618	2.2343	2.0495	2.0962	2.6609	3.4677
N3	2.4098	1.3704		2.2785	3.6403	2.5961	1.0091	1.0073	4.0036	4.5283
O4	2.3990	1.2240	2.2785		2.8466	3.3392	2.5131	3.1889	2.5441	3.9310
C5	1.3356	2.4618	3.6403	2.8466		2.1147	4.4854	3.9186	1.0851	1.0846
H6	1.0881	2.2343	2.5961	3.3392	2.1147		3.6042	2.3327	3.0760	2.4737
H7	3.3392	2.0495	1.0091	2.5131	4.4854	3.6042		1.7333	4.6854	5.4369
H8	2.5871	2.0962	1.0073	3.1889	3.9186	2.3327	1.7333		4.5070	4.6353
H9	2.1006	2.6609	4.0036	2.5441	1.0851	3.0760	4.6854	4.5070		1.8591
H10	2.1203	3.4677	4.5283	3.9310	1.0846	2.4737	5.4369	4.6353	1.8591

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	114.087	C1	C2	O4	123.102
C1	C5	H9	120.044	C1	C5	H10	122.008
C2	C1	C5	120.352	C2	C1	H6	118.477
C2	N3	H7	118.139	C2	N3	H8	122.948
N3	C2	O4	122.768	C5	C1	H6	121.166
H7	N3	H8	118.540	H9	C5	H10	117.936

All results from a given calculation for CH₂CHCONH₂ (Acrylamide)

using model chemistry: B2PLYP/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	-0.191
2	C	0.650
3	N	-0.826
4	O	-0.564
5	C	-0.323
6	H	0.156
7	H	0.365
8	H	0.356
9	H	0.207
10	H	0.170

	x	y	z
x	8.417	-0.761	-0.021
y	-0.761	6.367	0.033
z	-0.021	0.033	2.449

<r²>	115.388
(<r²>)^1/2	10.742

All results from a given calculation for CH2CHCONH2 (Acrylamide)

using model chemistry: B2PLYP/6-31G*

States and conformations

All results from a given calculation for CH₂CHCONH₂ (Acrylamide)