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	hartrees
Energy at 0K	-170.853432
Energy at 298.15K	-170.855800
Nuclear repulsion energy	89.760735

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3265	3168	1.13
2	A'	3185	3090	0.82
3	A'	3164	3070	0.44
4	A'	2324	2255	9.51
5	A'	1674	1624	1.35
6	A'	1435	1392	7.29
7	A'	1310	1272	0.39
8	A'	1103	1070	2.39
9	A'	882	856	1.74
10	A'	573	556	0.07
11	A'	235	228	3.09
12	A"	998	968	2.27
13	A"	991	962	53.85
14	A"	707	687	10.63
15	A"	342	332	0.25

Atom	x (Å)	y (Å)
C1	-0.579	-0.537
N2	-1.073	-1.590
C3	0.000	0.774
H4	-0.708	1.605
C5	1.324	0.989
H6	2.038	0.167
H7	1.718	2.005

	C1	N2	C3	H4	C5	H6	H7
C1		1.1635	1.4332	2.1454	2.4395	2.7108	3.4259
N2	1.1635		2.5965	3.2158	3.5215	3.5739	4.5514
C3	1.4332	2.5965		1.0915	1.3410	2.1267	2.1131
H4	2.1454	3.2158	1.0915		2.1226	3.0997	2.4584
C5	2.4395	3.5215	1.3410	2.1226		1.0894	1.0891
H6	2.7108	3.5739	2.1267	3.0997	1.0894		1.8652
H7	3.4259	4.5514	2.1131	2.4584	1.0891	1.8652

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H4	115.717	C1	C3	C5	123.094
N2	C1	C3	178.718	C3	C5	H6	121.756
C3	C5	H7	120.462	H4	C3	C5	121.189
H6	C5	H7	117.782

All results from a given calculation for C₃H₃N (acrylonitrile)

using model chemistry: B3LYP/aug-cc-pVDZ

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: B3LYP/aug-cc-pVDZ

States and conformations

All results from a given calculation for C₃H₃N (acrylonitrile)