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	hartrees
Energy at 0K	-170.564230
Energy at 298.15K	-170.559097
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3448	3248	4.22
2	A'	3395	3198	1.43
3	A'	3357	3163	2.70
4	A'	2608	2458	26.08
5	A'	1851	1744	0.17
6	A'	1577	1486	7.66
7	A'	1438	1355	1.66
8	A'	1203	1134	4.28
9	A'	934	880	3.26
10	A'	631	595	0.25
11	A'	262	247	4.09
12	A"	1132	1067	27.09
13	A"	1109	1045	37.44
14	A"	782	737	15.90
15	A"	393	370	1.04

Atom	x (Å)	y (Å)
C1	0.000	0.785
N2	-0.454	1.869
C3	0.581	-0.528
H4	1.666	-0.570
C5	-0.169	-1.639
H6	-1.253	-1.599
H7	0.294	-2.620

	C1	N2	C3	H4	C5	H6	H7
C1		1.1753	1.4362	2.1477	2.4301	2.6938	3.4175
N2	1.1753		2.6114	3.2317	3.5198	3.5596	4.5507
C3	1.4362	2.6114		1.0861	1.3403	2.1241	2.1110
H4	2.1477	3.2317	1.0861		2.1242	3.0958	2.4670
C5	2.4301	3.5198	1.3403	2.1242		1.0848	1.0844
H6	2.6938	3.5596	2.1241	3.0958	1.0848		1.8531
H7	3.4175	4.5507	2.1110	2.4670	1.0844	1.8531

All results from a given calculation for C₃H₃N (acrylonitrile)

using model chemistry: G3MP2

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 C3H3N (acrylonitrile)

using model chemistry: G3MP2

States and conformations

All results from a given calculation for C₃H₃N (acrylonitrile)