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	hartrees
Energy at 0K	-170.340094
Energy at 298.15K	-170.342442
HF Energy	-169.767629
Nuclear repulsion energy	89.605704

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3367	3146	2.28
2	A'	3285	3070	1.35
3	A'	3257	3044	0.15
4	A'	2210	2065	2.14
5	A'	1707	1595	2.77
6	A'	1488	1391	3.02
7	A'	1349	1261	0.27
8	A'	1132	1058	2.35
9	A'	898	839	0.73
10	A'	568	531	0.05
11	A'	232	217	2.98
12	A"	1023	956	28.40
13	A"	969	906	27.72
14	A"	699	653	8.86
15	A"	340	317	0.66

Atom	x (Å)	y (Å)
C1	0.000	0.782
N2	-0.469	1.867
C3	0.585	-0.525
H4	1.665	-0.572
C5	-0.160	-1.639
H6	-1.239	-1.596
H7	0.307	-2.611

	C1	N2	C3	H4	C5	H6	H7
C1		1.1817	1.4321	2.1458	2.4260	2.6814	3.4068
N2	1.1817		2.6138	3.2401	3.5190	3.5475	4.5444
C3	1.4321	2.6138		1.0808	1.3400	2.1150	2.1043
H4	2.1458	3.2401	1.0808		2.1142	3.0791	2.4502
C5	2.4260	3.5190	1.3400	2.1142		1.0793	1.0787
H6	2.6814	3.5475	2.1150	3.0791	1.0793		1.8490
H7	3.4068	4.5444	2.1043	2.4502	1.0787	1.8490

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H4	116.578	C1	C3	C5	122.086
N2	C1	C3	179.256	C3	C5	H6	121.542
C3	C5	H7	120.539	H4	C3	C5	121.336
H6	C5	H7	117.919

All results from a given calculation for C₃H₃N (acrylonitrile)

using model chemistry: MP2=FULL/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: MP2=FULL/6-31G**

States and conformations

All results from a given calculation for C₃H₃N (acrylonitrile)