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	hartrees
Energy at 0K	-170.431466
Energy at 298.15K	-170.433811
HF Energy	-169.797656
Nuclear repulsion energy	89.635936

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3305	3131	1.99
2	A'	3232	3061	1.18
3	A'	3200	3030	0.21
4	A'	2193	2077	2.52
5	A'	1676	1588	3.85
6	A'	1464	1387	6.42
7	A'	1335	1264	0.14
8	A'	1125	1065	3.51
9	A'	888	841	0.68
10	A'	572	542	0.02
11	A'	233	220	2.45
12	A"	1004	950	34.26
13	A"	948	898	37.78
14	A"	699	662	11.56
15	A"	342	324	0.06

Atom	x (Å)	y (Å)
C1	-0.586	-0.523
N2	-1.076	-1.591
C3	0.000	0.785
H4	-0.687	1.625
C5	1.329	0.972
H6	2.020	0.136
H7	1.743	1.973

	C1	N2	C3	H4	C5	H6	H7
C1		1.1755	1.4326	2.1503	2.4291	2.6884	3.4135
N2	1.1755		2.6081	3.2400	3.5144	3.5454	4.5441
C3	1.4326	2.6081		1.0856	1.3420	2.1215	2.1094
H4	2.1503	3.2400	1.0856		2.1191	3.0893	2.4542
C5	2.4291	3.5144	1.3420	2.1191		1.0840	1.0836
H6	2.6884	3.5454	2.1215	3.0893	1.0840		1.8574
H7	3.4135	4.5441	2.1094	2.4542	1.0836	1.8574

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H4	116.603	C1	C3	C5	122.162
N2	C1	C3	179.532	C3	C5	H6	121.604
C3	C5	H7	120.458	H4	C3	C5	121.235
H6	C5	H7	117.938

All results from a given calculation for C₃H₃N (acrylonitrile)

using model chemistry: MP2=FULL/6-311G*

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/6-311G*

States and conformations

All results from a given calculation for C₃H₃N (acrylonitrile)