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	hartrees
Energy at 0K	-169.200989
Energy at 298.15K	-169.203467
HF Energy	-168.813011
Nuclear repulsion energy	89.033660

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3282	3122	4.08
2	A'	3212	3055	0.96
3	A'	3189	3034	0.61
4	A'	2138	2034	6.61
5	A'	1666	1585	4.13
6	A'	1519	1445	2.19
7	A'	1380	1313	0.06
8	A'	1162	1106	3.65
9	A'	863	821	0.66
10	A'	612	582	0.12
11	A'	261	248	1.49
12	A"	1033	983	30.23
13	A"	986	938	42.11
14	A"	750	714	8.67
15	A"	379	361	0.10

Atom	x (Å)	y (Å)
C1	-0.591	-0.528
N2	-1.074	-1.615
C3	0.000	0.785
H4	-0.693	1.622
C5	1.330	0.995
H6	2.042	0.176
H7	1.732	2.002

	C1	N2	C3	H4	C5	H6	H7
C1		1.1896	1.4398	2.1525	2.4510	2.7249	3.4346
N2	1.1896		2.6293	3.2595	3.5481	3.5935	4.5778
C3	1.4398	2.6293		1.0866	1.3461	2.1308	2.1168
H4	2.1525	3.2595	1.0866		2.1175	3.0935	2.4541
C5	2.4510	3.5481	1.3461	2.1175		1.0855	1.0847
H6	2.7249	3.5935	2.1308	3.0935	1.0855		1.8529
H7	3.4346	4.5778	2.1168	2.4541	1.0847	1.8529

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H4	116.166	C1	C3	C5	123.194
N2	C1	C3	179.734	C3	C5	H6	122.024
C3	C5	H7	120.727	H4	C3	C5	120.639
H6	C5	H7	117.249

All results from a given calculation for C₃H₃N (acrylonitrile)

using model chemistry: MP2/3-21G*

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: MP2/3-21G*

States and conformations

All results from a given calculation for C₃H₃N (acrylonitrile)