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	hartrees
Energy at 0K	-169.207585
Energy at 298.15K	-169.210070
HF Energy	-168.813066
Nuclear repulsion energy	89.046034

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3283	3134	4.05
2	A'	3212	3067	0.96
3	A'	3189	3045	0.59
4	A'	2138	2042	6.62
5	A'	1666	1591	4.12
6	A'	1519	1450	2.21
7	A'	1381	1318	0.06
8	A'	1162	1110	3.65
9	A'	863	824	0.65
10	A'	612	584	0.11
11	A'	261	249	1.49
12	A"	1033	987	30.06
13	A"	986	942	42.29
14	A"	750	716	8.65
15	A"	379	362	0.10

Atom	x (Å)	y (Å)
C1	-0.590	-0.528
N2	-1.073	-1.615
C3	0.000	0.785
H4	-0.693	1.622
C5	1.329	0.995
H6	2.042	0.176
H7	1.731	2.002

	C1	N2	C3	H4	C5	H6	H7
C1		1.1894	1.4396	2.1523	2.4506	2.7245	3.4341
N2	1.1894		2.6290	3.2591	3.5476	3.5930	4.5773
C3	1.4396	2.6290		1.0865	1.3459	2.1304	2.1165
H4	2.1523	3.2591	1.0865		2.1171	3.0931	2.4538
C5	2.4506	3.5476	1.3459	2.1171		1.0854	1.0846
H6	2.7245	3.5930	2.1304	3.0931	1.0854		1.8526
H7	3.4341	4.5773	2.1165	2.4538	1.0846	1.8526

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H4	116.169	C1	C3	C5	123.193
N2	C1	C3	179.744	C3	C5	H6	122.024
C3	C5	H7	120.732	H4	C3	C5	120.638
H6	C5	H7	117.244

All results from a given calculation for C₃H₃N (acrylonitrile)

using model chemistry: MP2=FULL/3-21G

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=FULL/3-21G

States and conformations

All results from a given calculation for C₃H₃N (acrylonitrile)