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	hartrees
Energy at 0K	-28.347875
Energy at 298.15K	-28.350140
HF Energy	-27.839114
Nuclear repulsion energy	45.023377

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3318	3150	7.12
2	A'	3248	3084	2.90
3	A'	3205	3043	2.18
4	A'	2163	2054	1.11
5	A'	1674	1589	4.33
6	A'	1451	1377	3.34
7	A'	1315	1248	0.33
8	A'	1101	1045	4.09
9	A'	880	835	0.74
10	A'	547	520	0.23
11	A'	219	208	1.84
12	A"	1008	957	50.57
13	A"	920	873	39.48
14	A"	696	660	10.70
15	A"	330	314	0.04

Atom	x (Å)	y (Å)
C1	0.000	0.796
N2	-0.501	1.890
C3	0.612	-0.529
H4	1.705	-0.572
C5	-0.157	-1.666
H6	-1.250	-1.615
H7	0.322	-2.651

	C1	N2	C3	H4	C5	H6	H7
C1		1.2029	1.4596	2.1863	2.4672	2.7158	3.4621
N2	1.2029		2.6624	3.3057	3.5724	3.5840	4.6147
C3	1.4596	2.6624		1.0940	1.3727	2.1551	2.1416
H4	2.1863	3.3057	1.0940		2.1596	3.1332	2.4965
C5	2.4672	3.5724	1.3727	2.1596		1.0935	1.0953
H6	2.7158	3.5840	2.1551	3.1332	1.0935		1.8824
H7	3.4621	4.6147	2.1416	2.4965	1.0953	1.8824

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H4	117.055	C1	C3	C5	121.145
N2	C1	C3	179.821	C3	C5	H6	121.401
C3	C5	H7	119.969	H4	C3	C5	121.800
H6	C5	H7	118.630

All results from a given calculation for C₃H₃N (acrylonitrile)

using model chemistry: MP2/CEP-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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All results from a given calculation for C3H3N (acrylonitrile)

using model chemistry: MP2/CEP-31G*

States and conformations

All results from a given calculation for C₃H₃N (acrylonitrile)