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	hartrees
Energy at 0K	-28.158783
Energy at 298.15K	-28.161022
HF Energy	-27.768523
Nuclear repulsion energy	44.761908

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3226	3148	13.11
2	A'	3155	3079	3.83
3	A'	3107	3033	3.47
4	A'	2008	1960	7.98
5	A'	1612	1573	8.28
6	A'	1455	1420	1.42
7	A'	1328	1296	0.15
8	A'	1113	1086	4.14
9	A'	841	821	0.87
10	A'	546	533	0.54
11	A'	220	214	1.61
12	A"	977	954	46.86
13	A"	880	858	39.15
14	A"	677	660	4.45
15	A"	305	298	0.01

Atom	x (Å)	y (Å)
C1	0.000	0.802
N2	-0.485	1.918
C3	0.598	-0.540
H4	1.691	-0.580
C5	-0.159	-1.684
H6	-1.251	-1.652
H7	0.323	-2.663

	C1	N2	C3	H4	C5	H6	H7
C1		1.2171	1.4691	2.1836	2.4910	2.7543	3.4800
N2	1.2171		2.6862	3.3130	3.6168	3.6511	4.6519
C3	1.4691	2.6862		1.0928	1.3723	2.1582	2.1410
H4	2.1836	3.3130	1.0928		2.1540	3.1308	2.4916
C5	2.4910	3.6168	1.3723	2.1540		1.0925	1.0915
H6	2.7543	3.6511	2.1582	3.1308	1.0925		1.8712
H7	3.4800	4.6519	2.1410	2.4916	1.0915	1.8712

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H4	116.155	C1	C3	C5	122.451
N2	C1	C3	179.469	C3	C5	H6	121.823
C3	C5	H7	120.256	H4	C3	C5	121.394
H6	C5	H7	117.921

All results from a given calculation for C₃H₃N (acrylonitrile)

using model chemistry: MP2/CEP-121G

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/CEP-121G

States and conformations

All results from a given calculation for C₃H₃N (acrylonitrile)