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	hartrees
Energy at 0K	-170.298167
Energy at 298.15K	-170.300489
HF Energy	-169.761641
Nuclear repulsion energy	89.430093

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3330	3140	1.95
2	A'	3255	3069	1.07
3	A'	3229	3045	0.07
4	A'	2201	2075	1.95
5	A'	1698	1601	2.69
6	A'	1483	1398	4.05
7	A'	1350	1273	0.20
8	A'	1135	1070	3.09
9	A'	896	845	0.58
10	A'	567	535	0.02
11	A'	230	217	2.88
12	A"	1014	956	32.07
13	A"	964	909	30.93
14	A"	696	657	9.83
15	A"	333	314	0.58

Atom	x (Å)	y (Å)
C1	0.000	-0.786
N2	0.454	-1.871
C3	-0.582	0.529
H4	-1.667	0.571
C5	0.170	1.641
H6	1.254	1.602
H7	-0.293	2.622

	C1	N2	C3	H4	C5	H6	H7
C1		1.1763	1.4383	2.1497	2.4334	2.6971	3.4210
N2	1.1763		2.6144	3.2348	3.5241	3.5639	4.5552
C3	1.4383	2.6144		1.0864	1.3419	2.1259	2.1127
H4	2.1497	3.2348	1.0864		2.1259	3.0977	2.4688
C5	2.4334	3.5241	1.3419	2.1259		1.0851	1.0847
H6	2.6971	3.5639	2.1259	3.0977	1.0851		1.8536
H7	3.4210	4.5552	2.1127	2.4688	1.0847	1.8536

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H4	116.047	C1	C3	C5	122.110
N2	C1	C3	178.853	C3	C5	H6	121.949
C3	C5	H7	120.696	H4	C3	C5	121.843
H6	C5	H7	117.355

All results from a given calculation for C₃H₃N (acrylonitrile)

using model chemistry: MP2/6-31G*

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: MP2/6-31G*

States and conformations

All results from a given calculation for C₃H₃N (acrylonitrile)