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	hartrees
Energy at 0K	-169.778886
Energy at 298.15K
HF Energy	-169.778886
Nuclear repulsion energy	90.748460

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3428	3100	2.54
2	A'	3376	3053	1.18
3	A'	3333	3014	1.28
4	A'	2593	2344	31.57
5	A'	1834	1658	0.11
6	A'	1563	1414	9.16
7	A'	1427	1290	1.64
8	A'	1197	1082	4.50
9	A'	929	840	3.43
10	A'	629	569	0.08
11	A'	262	237	3.63
12	A"	1132	1024	34.33
13	A"	1097	992	44.45
14	A"	777	703	16.96
15	A"	388	351	0.17

Number	Element	Mulliken
1	C	0.015
2	N	-0.425
3	C	0.060
4	H	0.201
5	C	-0.196
6	H	0.178
7	H	0.168

	x	y	z	Total
	2.257	3.737	0.000	4.366
CHELPG
AIM
ESP

	x	y	z
x	6.883	1.962	-0.001
y	1.962	6.412	-0.002
z	-0.001	-0.002	3.421

All results from a given calculation for C₃H₃N (acrylonitrile)

using model chemistry: HF/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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<r²>	77.960
(<r²>)^1/2	8.830

All results from a given calculation for C3H3N (acrylonitrile)

using model chemistry: HF/6-31+G**

States and conformations

All results from a given calculation for C₃H₃N (acrylonitrile)