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	hartrees
Energy at 0K	-28.397704
Energy at 298.15K	-28.399964
HF Energy	-27.857492
Nuclear repulsion energy	45.481307

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3304	3148	3.48
2	A'	3232	3080	1.74
3	A'	3192	3041	0.68
4	A'	2129	2028	2.30
5	A'	1652	1574	4.93
6	A'	1454	1385	3.65
7	A'	1319	1257	0.27
8	A'	1110	1058	3.61
9	A'	871	830	0.88
10	A'	555	528	0.14
11	A'	222	211	2.03
12	A"	992	945	41.45
13	A"	906	863	39.00
14	A"	675	643	8.32
15	A"	321	305	0.02

Atom	x (Å)	y (Å)
C1	0.000	0.790
N2	-0.477	1.878
C3	0.596	-0.531
H4	1.682	-0.575
C5	-0.163	-1.650
H6	-1.248	-1.600
H7	0.306	-2.629

	C1	N2	C3	H4	C5	H6	H7
C1		1.1885	1.4488	2.1663	2.4450	2.6958	3.4322
N2	1.1885		2.6373	3.2684	3.5421	3.5625	4.5747
C3	1.4488	2.6373		1.0871	1.3523	2.1315	2.1180
H4	2.1663	3.2684	1.0871		2.1355	3.1042	2.4721
C5	2.4450	3.5421	1.3523	2.1355		1.0860	1.0856
H6	2.6958	3.5625	2.1315	3.1042	1.0860		1.8638
H7	3.4322	4.5747	2.1180	2.4721	1.0856	1.8638

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H4	116.635	C1	C3	C5	121.551
N2	C1	C3	179.367	C3	C5	H6	121.510
C3	C5	H7	120.238	H4	C3	C5	121.814
H6	C5	H7	118.251

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)