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	hartrees
Energy at 0K	-247.236620
Energy at 298.15K	-247.242129
Nuclear repulsion energy	163.193419

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3804	3619	45.47
2	A	3660	3482	53.08
3	A	3294	3135	2.02
4	A	3201	3046	12.01
5	A	3187	3032	8.32
6	A	1831	1743	241.62
7	A	1731	1647	31.46
8	A	1637	1557	146.87
9	A	1452	1382	106.56
10	A	1378	1311	44.70
11	A	1302	1239	65.87
12	A	1125	1070	1.38
13	A	1042	992	3.41
14	A	1026	976	38.17
15	A	1001	953	8.94
16	A	830	790	5.70
17	A	825	785	27.09
18	A	628	597	6.98
19	A	618	588	10.29
20	A	473	450	9.78
21	A	467	445	5.20
22	A	278	264	7.75
23	A	148	141	114.25
24	A	98	93	129.92

Atom	x (Å)	y (Å)	z (Å)
C1	0.796	-0.657	-0.000
C2	-0.474	0.127	-0.000
N3	-1.607	-0.629	-0.000
O4	-0.504	1.347	0.000
C5	1.967	-0.026	0.000
H6	0.741	-1.743	-0.000
H7	-2.493	-0.154	0.001
H8	-1.591	-1.632	0.002
H9	1.986	1.059	0.000
H10	2.909	-0.562	-0.000

	C1	C2	N3	O4	C5	H6	H7	H8	H9	H10
C1		1.4921	2.4030	2.3879	1.3298	1.0873	3.3269	2.5786	2.0876	2.1152
C2	1.4921		1.3620	1.2202	2.4455	2.2295	2.0381	2.0839	2.6303	3.4522
N3	2.4030	1.3620		2.2629	3.6242	2.5986	1.0053	1.0035	3.9694	4.5164
O4	2.3879	1.2202	2.2629		2.8263	3.3306	2.4914	3.1712	2.5061	3.9099
C5	1.3298	2.4455	3.6242	2.8263		2.1091	4.4613	3.9034	1.0850	1.0837
H6	1.0873	2.2295	2.5986	3.3306	2.1091		3.6031	2.3345	3.0653	2.4688
H7	3.3269	2.0381	1.0053	2.4914	4.4613	3.6031		1.7321	4.6396	5.4171
H8	2.5786	2.0839	1.0035	3.1712	3.9034	2.3345	1.7321		4.4760	4.6256
H9	2.0876	2.6303	3.9694	2.5061	1.0850	3.0653	4.6396	4.4760		1.8647
H10	2.1152	3.4522	4.5164	3.9099	1.0837	2.4688	5.4171	4.6256	1.8647

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	114.619	C1	C2	O4	123.070
C1	C5	H9	119.306	C1	C5	H10	122.098
C2	C1	C5	120.026	C2	C1	H6	118.778
C2	N3	H7	118.065	C2	N3	H8	122.792
N3	C2	O4	122.312	C5	C1	H6	121.196
H7	N3	H8	119.143	H9	C5	H10	118.596

All results from a given calculation for CH₂CHCONH₂ (Acrylamide)

using model chemistry: mPW1PW91/6-31G**

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	-0.149
2	C	0.586
3	N	-0.669
4	O	-0.526
5	C	-0.261
6	H	0.119
7	H	0.301
8	H	0.290
9	H	0.170
10	H	0.137

	x	y	z	Total
	-0.476	-3.523	0.007	3.555
CHELPG
AIM
ESP

<r²>	114.352
(<r²>)^1/2	10.694

All results from a given calculation for CH2CHCONH2 (Acrylamide)

using model chemistry: mPW1PW91/6-31G**

States and conformations

All results from a given calculation for CH₂CHCONH₂ (Acrylamide)