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	hartrees
Energy at 0K	-170.486290
Energy at 298.15K	-170.488624
HF Energy	-169.828826
Nuclear repulsion energy	89.900967

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3306	3145	0.43
2	A'	3235	3078	1.10
3	A'	3200	3045	0.04
4	A'	2189	2083	1.29
5	A'	1669	1588	4.22
6	A'	1457	1386	5.19
7	A'	1323	1259	0.26
8	A'	1112	1058	1.90
9	A'	884	842	0.92
10	A'	562	535	0.09
11	A'	228	217	3.03
12	A"	1015	965	27.05
13	A"	972	925	30.82
14	A"	700	666	9.53
15	A"	336	320	0.22

Atom	x (Å)	y (Å)
C1	-0.578	-0.531
N2	-1.073	-1.585
C3	0.000	0.781
H4	-0.698	1.607
C5	1.322	0.977
H6	2.016	0.149
H7	1.728	1.977

	C1	N2	C3	H4	C5	H6	H7
C1		1.1653	1.4335	2.1406	2.4246	2.6812	3.4063
N2	1.1653		2.5987	3.2139	3.5068	3.5427	4.5315
C3	1.4335	2.5987		1.0806	1.3360	2.1127	2.1012
H4	2.1406	3.2139	1.0806		2.1154	3.0802	2.4538
C5	2.4246	3.5068	1.3360	2.1154		1.0799	1.0797
H6	2.6812	3.5427	2.1127	3.0802	1.0799		1.8500
H7	3.4063	4.5315	2.1012	2.4538	1.0797	1.8500

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H4	116.025	C1	C3	C5	122.156
N2	C1	C3	178.602	C3	C5	H6	121.614
C3	C5	H7	120.505	H4	C3	C5	121.819
H6	C5	H7	117.881

All results from a given calculation for C₃H₃N (acrylonitrile)

using model chemistry: MP2/Def2TZVPP

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/Def2TZVPP

States and conformations

All results from a given calculation for C₃H₃N (acrylonitrile)