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	hartrees
Energy at 0K	-247.232729
Energy at 298.15K	-247.238292
HF Energy	-247.232729
Nuclear repulsion energy	162.800596

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3794	3613	52.36
2	A	3650	3476	58.81
3	A	3290	3133	1.91
4	A	3203	3050	13.00
5	A	3186	3034	6.67
6	A	1811	1725	323.08
7	A	1732	1649	39.23
8	A	1639	1561	152.26
9	A	1453	1383	110.42
10	A	1375	1310	60.86
11	A	1301	1239	82.84
12	A	1125	1072	1.40
13	A	1047	997	5.08
14	A	1016	967	41.23
15	A	1006	958	22.27
16	A	827	787	5.67
17	A	826	786	24.08
18	A	621	592	9.81
19	A	607	578	2.94
20	A	474	452	4.63
21	A	462	440	13.77
22	A	279	266	7.89
23	A	200	190	213.38
24	A	86	82	20.60

Atom	x (Å)	y (Å)	z (Å)
C1	0.804	-0.651	-0.013
C2	-0.475	0.124	-0.012
N3	-1.611	-0.634	-0.014
O4	-0.517	1.345	-0.001
C5	1.976	-0.022	0.012
H6	0.751	-1.737	-0.038
H7	-2.496	-0.159	0.071
H8	-1.588	-1.632	0.110
H9	2.004	1.064	0.035
H10	2.915	-0.565	0.010

	C1	C2	N3	O4	C5	H6	H7	H8	H9	H10
C1		1.4951	2.4145	2.3939	1.3308	1.0876	3.3369	2.5879	2.0944	2.1131
C2	1.4951		1.3657	1.2219	2.4550	2.2290	2.0422	2.0826	2.6518	3.4589
N3	2.4145	1.3657		2.2610	3.6386	2.6073	1.0080	1.0058	3.9945	4.5262
O4	2.3939	1.2219	2.2610		2.8433	3.3335	2.4859	3.1655	2.5377	3.9278
C5	1.3308	2.4550	3.6386	2.8433		2.1084	4.4739	3.9121	1.0863	1.0848
H6	1.0876	2.2290	2.6073	3.3335	2.1084		3.6121	2.3466	3.0697	2.4612
H7	3.3369	2.0422	1.0080	2.4859	4.4739	3.6121		1.7306	4.6633	5.4260
H8	2.5879	2.0826	1.0058	3.1655	3.9121	2.3466	1.7306		4.4922	4.6288
H9	2.0944	2.6518	3.9945	2.5377	1.0863	3.0697	4.6633	4.4922		1.8662
H10	2.1131	3.4589	4.5262	3.9278	1.0848	2.4612	5.4260	4.6288	1.8662

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	115.061	C1	C2	O4	123.233
C1	C5	H9	119.767	C1	C5	H10	121.698
C2	C1	C5	120.517	C2	C1	H6	118.469
C2	N3	H7	117.929	C2	N3	H8	122.115
N3	C2	O4	121.705	C5	C1	H6	121.014
H7	N3	H8	118.494	H9	C5	H10	118.534

All results from a given calculation for CH₂CHCONH₂ (Acrylamide)

using model chemistry: wB97X-D/6-31+G**

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	0.086
2	C	0.315
3	N	-0.597
4	O	-0.556
5	C	-0.393
6	H	0.142
7	H	0.338
8	H	0.312
9	H	0.194
10	H	0.160

	x	y	z	Total
	-0.270	-3.778	0.000	3.787
CHELPG
AIM
ESP

	x	y	z
x	9.241	0.869	0.000
y	0.869	7.188	0.000
z	0.000	0.000	4.442

<r²>	115.625
(<r²>)^1/2	10.753

All results from a given calculation for CH2CHCONH2 (Acrylamide)

using model chemistry: wB97X-D/6-31+G**

States and conformations

All results from a given calculation for CH₂CHCONH₂ (Acrylamide)