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	hartrees
Energy at 0K	-245.838507
Energy at 298.15K	-245.844577
Nuclear repulsion energy	162.425918

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3692	3542	32.56
2	A	3561	3417	41.41
3	A	3267	3135	2.33
4	A	3190	3060	11.53
5	A	3169	3040	3.43
6	A	1760	1688	141.42
7	A	1697	1628	51.56
8	A	1670	1603	84.35
9	A	1469	1410	71.29
10	A	1382	1326	50.41
11	A	1321	1268	114.86
12	A	1131	1086	4.75
13	A	1070	1026	4.55
14	A	1039	997	55.95
15	A	1028	986	14.30
16	A	860	825	75.11
17	A	808	775	7.63
18	A	655	629	69.98
19	A	628	603	5.31
20	A	521	500	206.65
21	A	482	462	5.83
22	A	469	450	41.58
23	A	285	273	9.82
24	A	146	140	6.61

Atom	x (Å)	y (Å)	z (Å)
C1	-0.791	-0.672	-0.000
C2	0.473	0.127	-0.000
N3	1.613	-0.629	-0.000
O4	0.484	1.368	-0.000
C5	-1.960	-0.036	0.000
H6	-0.724	-1.757	-0.001
H7	2.507	-0.152	0.000
H8	1.597	-1.640	0.001
H9	-1.963	1.052	0.000
H10	-2.911	-0.557	0.000

	C1	C2	N3	O4	C5	H6	H7	H8	H9	H10
C1		1.4951	2.4047	2.4059	1.3306	1.0868	3.3389	2.5769	2.0844	2.1226
C2	1.4951		1.3677	1.2413	2.4379	2.2316	2.0533	2.0936	2.6058	3.4519
N3	2.4047	1.3677		2.2934	3.6217	2.5955	1.0129	1.0110	3.9514	4.5244
O4	2.4059	1.2413	2.2934		2.8184	3.3503	2.5302	3.2066	2.4682	3.9029
C5	1.3306	2.4379	3.6217	2.8184		2.1187	4.4683	3.9018	1.0871	1.0846
H6	1.0868	2.2316	2.5955	3.3503	2.1187		3.6078	2.3245	3.0695	2.4939
H7	3.3389	2.0533	1.0129	2.5302	4.4683	3.6078		1.7434	4.6297	5.4329
H8	2.5769	2.0936	1.0110	3.2066	3.9018	2.3245	1.7434		4.4631	4.6360
H9	2.0844	2.6058	3.9514	2.4682	1.0871	3.0695	4.6297	4.4631		1.8669
H10	2.1226	3.4519	4.5244	3.9029	1.0846	2.4939	5.4329	4.6360	1.8669

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	114.200	C1	C2	O4	122.825
C1	C5	H9	118.768	C1	C5	H10	122.684
C2	C1	C5	119.137	C2	C1	H6	118.759
C2	N3	H7	118.441	C2	N3	H8	122.611
N3	C2	O4	122.975	C5	C1	H6	122.104
H7	N3	H8	118.948	H9	C5	H10	118.548

All results from a given calculation for CH₂CHCONH₂ (Acrylamide)

using model chemistry: B3PW91/3-21G*

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	-0.297
2	C	0.650
3	N	-0.801
4	O	-0.519
5	C	-0.374
6	H	0.206
7	H	0.338
8	H	0.329
9	H	0.250
10	H	0.217

	x	y	z	Total
	0.700	-3.477	0.002	3.546
CHELPG
AIM
ESP

<r²>	114.816
(<r²>)^1/2	10.715

All results from a given calculation for CH2CHCONH2 (Acrylamide)

using model chemistry: B3PW91/3-21G*

States and conformations

All results from a given calculation for CH₂CHCONH₂ (Acrylamide)