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	hartrees
Energy at 0K	-170.309584
Energy at 298.15K	-170.311939
HF Energy	-169.765777
Nuclear repulsion energy	89.874314

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3323	3119	2.78
2	A'	3262	3061	0.78
3	A'	3230	3032	0.24
4	A'	2437	2287	2.77
5	A'	1735	1629	2.09
6	A'	1489	1397	4.64
7	A'	1357	1273	0.33
8	A'	1143	1073	4.13
9	A'	903	847	1.44
10	A'	579	543	0.02
11	A'	237	222	3.21
12	A"	1012	950	33.24
13	A"	977	917	29.83
14	A"	699	656	10.65
15	A"	341	320	0.68

Atom	x (Å)	y (Å)
C1	-0.584	-0.531
N2	-1.073	-1.584
C3	0.000	0.787
H4	-0.695	1.620
C5	1.325	0.971
H6	2.019	0.137
H7	1.745	1.970

	C1	N2	C3	H4	C5	H6	H7
C1		1.1610	1.4415	2.1540	2.4290	2.6874	3.4178
N2	1.1610		2.6025	3.2266	3.5038	3.5384	4.5358
C3	1.4415	2.6025		1.0853	1.3376	2.1208	2.1084
H4	2.1540	3.2266	1.0853		2.1220	3.0930	2.4652
C5	2.4290	3.5038	1.3376	2.1220		1.0847	1.0842
H6	2.6874	3.5384	2.1208	3.0930	1.0847		1.8537
H7	3.4178	4.5358	2.1084	2.4652	1.0842	1.8537

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H4	116.245	C1	C3	C5	121.816
N2	C1	C3	179.037	C3	C5	H6	121.867
C3	C5	H7	120.693	H4	C3	C5	121.940
H6	C5	H7	117.441

All results from a given calculation for C₃H₃N (acrylonitrile)

using model chemistry: MP3/6-31G*

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: MP3/6-31G*

States and conformations

All results from a given calculation for C₃H₃N (acrylonitrile)