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	hartrees
Energy at 0K	-245.927900
Energy at 298.15K	-245.933623
HF Energy	-245.927900
Nuclear repulsion energy	164.664258

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3973	3601	57.42
2	A	3835	3476	69.44
3	A	3392	3074	2.21
4	A	3316	3006	12.52
5	A	3296	2988	9.29
6	A	1926	1745	384.92
7	A	1835	1663	53.68
8	A	1770	1605	140.41
9	A	1565	1418	112.95
10	A	1460	1323	58.49
11	A	1394	1264	157.41
12	A	1211	1097	6.39
13	A	1144	1037	28.50
14	A	1130	1024	7.73
15	A	1103	1000	30.73
16	A	910	825	33.07
17	A	875	793	5.12
18	A	668	606	17.16
19	A	653	592	3.79
20	A	512	464	9.45
21	A	504	456	5.38
22	A	299	271	7.86
23	A	142	129	117.86
24	A	85	77	106.89

Atom	x (Å)	y (Å)	z (Å)
C1	0.805	-0.639	-0.013
C2	-0.473	0.123	-0.011
N3	-1.593	-0.626	-0.017
O4	-0.523	1.317	-0.001
C5	1.957	-0.014	0.012
H6	0.757	-1.711	-0.036
H7	-2.462	-0.161	0.076
H8	-1.563	-1.603	0.116
H9	1.987	1.057	0.032
H10	2.885	-0.550	0.010

	C1	C2	N3	O4	C5	H6	H7	H8	H9	H10
C1		1.4875	2.3980	2.3639	1.3116	1.0730	3.3027	2.5595	2.0684	2.0826
C2	1.4875		1.3478	1.1949	2.4338	2.2083	2.0113	2.0453	2.6314	3.4249
N3	2.3980	1.3478		2.2182	3.6030	2.5889	0.9896	0.9865	3.9564	4.4793
O4	2.3639	1.1949	2.2182		2.8142	3.2873	2.4394	3.1016	2.5231	3.8859
C5	1.3116	2.4338	3.6030	2.8142		2.0792	4.4221	3.8637	1.0716	1.0721
H6	1.0730	2.2083	2.5889	3.2873	2.0792		3.5746	2.3277	3.0299	2.4245
H7	3.3027	2.0113	0.9896	2.4394	4.4221	3.5746		1.6995	4.6129	5.3618
H8	2.5595	2.0453	0.9865	3.1016	3.8637	2.3277	1.6995		4.4368	4.5724
H9	2.0684	2.6314	3.9564	2.5231	1.0716	3.0299	4.6129	4.4368		1.8418
H10	2.0826	3.4249	4.4793	3.8859	1.0721	2.4245	5.3618	4.5724	1.8418

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	115.420	C1	C2	O4	123.221
C1	C5	H9	120.096	C1	C5	H10	121.459
C2	C1	C5	120.671	C2	C1	H6	118.283
C2	N3	H7	117.932	C2	N3	H8	121.610
N3	C2	O4	121.358	C5	C1	H6	121.046
H7	N3	H8	118.641	H9	C5	H10	118.445

All results from a given calculation for CH₂CHCONH₂ (Acrylamide)

using model chemistry: HF/Def2TZVPP

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	-0.193
2	C	0.517
3	N	-0.404
4	O	-0.500
5	C	-0.076
6	H	0.058
7	H	0.210
8	H	0.190
9	H	0.110
10	H	0.087

	x	y	z	Total
	-0.084	-3.761	-0.002	3.762
CHELPG
AIM
ESP

	x	y	z
x	8.645	0.798	-0.000
y	0.798	6.596	-0.000
z	-0.000	-0.000	4.230

<r²>	113.846
(<r²>)^1/2	10.670

All results from a given calculation for CH2CHCONH2 (Acrylamide)

using model chemistry: HF/Def2TZVPP

States and conformations

All results from a given calculation for CH₂CHCONH₂ (Acrylamide)