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	hartrees
Energy at 0K	-170.482689
Energy at 298.15K	-170.485032
HF Energy	-169.822873
Nuclear repulsion energy	89.894416

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3304	3137	0.52
2	A'	3233	3070	1.06
3	A'	3199	3037	0.04
4	A'	2187	2076	1.39
5	A'	1670	1585	3.97
6	A'	1455	1382	5.42
7	A'	1321	1254	0.23
8	A'	1110	1054	1.83
9	A'	884	839	0.81
10	A'	561	532	0.09
11	A'	227	216	2.87
12	A"	1017	966	24.98
13	A"	980	930	32.19
14	A"	703	668	9.46
15	A"	335	318	0.22

Atom	x (Å)	y (Å)
C1	-0.577	-0.531
N2	-1.073	-1.586
C3	0.000	0.781
H4	-0.698	1.606
C5	1.321	0.977
H6	2.016	0.150
H7	1.727	1.978

	C1	N2	C3	H4	C5	H6	H7
C1		1.1659	1.4330	2.1402	2.4241	2.6807	3.4059
N2	1.1659		2.5986	3.2137	3.5074	3.5436	4.5320
C3	1.4330	2.5986		1.0804	1.3357	2.1123	2.1011
H4	2.1402	3.2137	1.0804		2.1145	3.0794	2.4529
C5	2.4241	3.5074	1.3357	2.1145		1.0800	1.0797
H6	2.6807	3.5436	2.1123	3.0794	1.0800		1.8501
H7	3.4059	4.5320	2.1011	2.4529	1.0797	1.8501

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H4	116.046	C1	C3	C5	122.182
N2	C1	C3	178.533	C3	C5	H6	121.592
C3	C5	H7	120.519	H4	C3	C5	121.771
H6	C5	H7	117.889

All results from a given calculation for C₃H₃N (acrylonitrile)

using model chemistry: MP2/cc-pVTZ

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/cc-pVTZ

States and conformations

All results from a given calculation for C₃H₃N (acrylonitrile)