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	hartrees
Energy at 0K	-244.972379
Energy at 298.15K	-244.978285
HF Energy	-244.445608
Nuclear repulsion energy	161.099285

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3672	3559	25.80
2	A	3542	3433	41.80
3	A	3219	3120	5.26
4	A	3146	3049	9.43
5	A	3129	3032	5.66
6	A	1729	1676	172.59
7	A	1701	1648	31.58
8	A	1658	1607	42.79
9	A	1488	1442	47.36
10	A	1370	1327	35.00
11	A	1315	1274	160.09
12	A	1131	1096	5.21
13	A	1073	1040	7.46
14	A	1012	981	52.57
15	A	986	956	2.93
16	A	819	794	56.67
17	A	783	759	7.34
18	A	627	608	5.60
19	A	624	605	50.32
20	A	483	469	73.95
21	A	482	467	5.79
22	A	392	380	225.29
23	A	287	278	9.36
24	A	126	122	6.34

Atom	x (Å)	y (Å)	z (Å)
C1	0.801	-0.679	0.000
C2	-0.481	0.128	0.000
N3	-1.629	-0.633	-0.000
O4	-0.490	1.378	0.000
C5	1.979	-0.035	-0.000
H6	0.733	-1.767	0.000
H7	-2.524	-0.157	0.000
H8	-1.613	-1.645	0.000
H9	1.994	1.055	-0.000
H10	2.935	-0.557	-0.000

	C1	C2	N3	O4	C5	H6	H7	H8	H9	H10
C1		1.5143	2.4307	2.4277	1.3425	1.0910	3.3660	2.6000	2.1045	2.1373
C2	1.5143		1.3778	1.2497	2.4655	2.2506	2.0636	2.1034	2.6430	3.4834
N3	2.4307	1.3778		2.3111	3.6578	2.6204	1.0138	1.0117	3.9975	4.5647
O4	2.4277	1.2497	2.3111		2.8448	3.3743	2.5487	3.2242	2.5051	3.9330
C5	1.3425	2.4655	3.6578	2.8448		2.1339	4.5055	3.9363	1.0902	1.0884
H6	1.0910	2.2506	2.6204	3.3743	2.1339		3.6336	2.3490	3.0913	2.5128
H7	3.3660	2.0636	1.0138	2.5487	4.5055	3.6336		1.7445	4.6786	5.4738
H8	2.6000	2.1034	1.0117	3.2242	3.9363	2.3490	1.7445		4.5055	4.6760
H9	2.1045	2.6430	3.9975	2.5051	1.0902	3.0913	4.6786	4.5055		1.8657
H10	2.1373	3.4834	4.5647	3.9330	1.0884	2.5128	5.4738	4.6760	1.8657

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	114.292	C1	C2	O4	122.595
C1	C5	H9	119.421	C1	C5	H10	122.753
C2	C1	C5	119.192	C2	C1	H6	118.603
C2	N3	H7	118.482	C2	N3	H8	122.598
N3	C2	O4	123.113	C5	C1	H6	122.205
H7	N3	H8	118.920	H9	C5	H10	117.827

All results from a given calculation for CH₂CHCONH₂ (Acrylamide)

using model chemistry: QCISD/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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All results from a given calculation for CH2CHCONH2 (Acrylamide)

using model chemistry: QCISD/3-21G

States and conformations

All results from a given calculation for CH₂CHCONH₂ (Acrylamide)