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	hartrees
Energy at 0K	-170.380017
Energy at 298.15K	-170.382367
HF Energy	-169.799880
Nuclear repulsion energy	89.644081

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3261	3122	4.03
2	A'	3201	3065	1.42
3	A'	3164	3030	1.17
4	A'	2322	2223	1.36
5	A'	1690	1618	1.44
6	A'	1459	1397	6.91
7	A'	1332	1275	0.42
8	A'	1122	1074	3.77
9	A'	879	842	1.36
10	A'	574	549	0.00
11	A'	236	226	2.70
12	A"	991	948	36.97
13	A"	957	917	29.91
14	A"	695	665	12.05
15	A"	346	331	0.12

Atom	x (Å)	y (Å)
C1	-0.588	-0.533
N2	-1.074	-1.590
C3	0.000	0.787
H4	-0.697	1.622
C5	1.329	0.977
H6	2.027	0.144
H7	1.743	1.981

	C1	N2	C3	H4	C5	H6	H7
C1		1.1627	1.4451	2.1578	2.4400	2.7008	3.4287
N2	1.1627		2.6078	3.2336	3.5154	3.5519	4.5480
C3	1.4451	2.6078		1.0876	1.3421	2.1261	2.1130
H4	2.1578	3.2336	1.0876		2.1256	3.0987	2.4662
C5	2.4400	3.5154	1.3421	2.1256		1.0869	1.0865
H6	2.7008	3.5519	2.1261	3.0987	1.0869		1.8592
H7	3.4287	4.5480	2.1130	2.4662	1.0865	1.8592

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H4	116.143	C1	C3	C5	122.154
N2	C1	C3	179.324	C3	C5	H6	121.814
C3	C5	H7	120.571	H4	C3	C5	121.703
H6	C5	H7	117.615

All results from a given calculation for C₃H₃N (acrylonitrile)

using model chemistry: QCISD/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: QCISD/6-311G*

States and conformations

All results from a given calculation for C₃H₃N (acrylonitrile)