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	hartrees
Energy at 0K	-170.378563
Energy at 298.15K	-170.380900
HF Energy	-169.802916
Nuclear repulsion energy	89.570041

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3302	3138	1.76
2	A'	3230	3069	1.27
3	A'	3196	3036	0.12
4	A'	2188	2079	3.20
5	A'	1666	1583	3.98
6	A'	1452	1380	4.68
7	A'	1320	1254	0.19
8	A'	1110	1054	2.48
9	A'	883	839	0.87
10	A'	565	537	0.06
11	A'	231	219	2.56
12	A"	1007	956	31.02
13	A"	949	901	30.66
14	A"	693	659	9.82
15	A"	338	321	0.13

Atom	x (Å)	y (Å)
C1	-0.586	-0.524
N2	-1.077	-1.593
C3	0.000	0.786
H4	-0.688	1.625
C5	1.330	0.973
H6	2.018	0.135
H7	1.741	1.976

	C1	N2	C3	H4	C5	H6	H7
C1		1.1763	1.4343	2.1510	2.4312	2.6863	3.4154
N2	1.1763		2.6106	3.2410	3.5179	3.5447	4.5473
C3	1.4343	2.6106		1.0855	1.3430	2.1205	2.1094
H4	2.1510	3.2410	1.0855		2.1207	3.0895	2.4548
C5	2.4312	3.5179	1.3430	2.1207		1.0845	1.0841
H6	2.6863	3.5447	2.1205	3.0895	1.0845		1.8617
H7	3.4154	4.5473	2.1094	2.4548	1.0841	1.8617

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H4	116.544	C1	C3	C5	122.141
N2	C1	C3	179.445	C3	C5	H6	121.374
C3	C5	H7	120.335	H4	C3	C5	121.315
H6	C5	H7	118.291

All results from a given calculation for C₃H₃N (acrylonitrile)

using model chemistry: MP2/6-311G**

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: MP2/6-311G**

States and conformations

All results from a given calculation for C₃H₃N (acrylonitrile)