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	hartrees
Energy at 0K	-170.321256
Energy at 298.15K	-170.323589
HF Energy	-169.764488
Nuclear repulsion energy	89.570860

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3291	3108	3.68
2	A'	3229	3049	1.23
3	A'	3200	3021	1.00
4	A'	2351	2220	1.10
5	A'	1715	1620	1.23
6	A'	1478	1395	4.70
7	A'	1348	1273	0.42
8	A'	1134	1071	3.58
9	A'	891	841	1.20
10	A'	571	539	0.02
11	A'	234	221	3.07
12	A"	1001	945	34.67
13	A"	972	918	24.83
14	A"	694	656	10.44
15	A"	339	320	0.66

Atom	x (Å)	y (Å)
C1	-0.583	-0.537
N2	-1.077	-1.594
C3	0.000	0.787
H4	-0.705	1.616
C5	1.328	0.983
H6	2.034	0.156
H7	1.741	1.989

	C1	N2	C3	H4	C5	H6	H7
C1		1.1663	1.4467	2.1564	2.4417	2.7066	3.4322
N2	1.1663		2.6128	3.2309	3.5245	3.5687	4.5578
C3	1.4467	2.6128		1.0884	1.3421	2.1291	2.1154
H4	2.1564	3.2309	1.0884		2.1291	3.1036	2.4745
C5	2.4417	3.5245	1.3421	2.1291		1.0875	1.0871
H6	2.7066	3.5687	2.1291	3.1036	1.0875		1.8559
H7	3.4322	4.5578	2.1154	2.4745	1.0871	1.8559

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H4	115.847	C1	C3	C5	122.172
N2	C1	C3	178.694	C3	C5	H6	122.058
C3	C5	H7	120.757	H4	C3	C5	121.981
H6	C5	H7	117.185

All results from a given calculation for C₃H₃N (acrylonitrile)

using model chemistry: CCSD/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: CCSD/6-31G*

States and conformations

All results from a given calculation for C₃H₃N (acrylonitrile)