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	hartrees
Energy at 0K	-170.541954
Energy at 298.15K	-170.544337
HF Energy	-169.823866
Nuclear repulsion energy	90.242523

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3307	3140	0.49
2	A'	3248	3084	1.01
3	A'	3219	3056	0.01
4	A'	2210	2098	1.02
5	A'	1684	1599	3.84
6	A'	1467	1392	5.81
7	A'	1328	1261	0.18
8	A'	1118	1062	1.82
9	A'	893	848	0.76
10	A'	563	534	0.08
11	A'	229	217	2.92
12	A"	1031	979	25.26
13	A"	1005	954	32.14
14	A"	725	688	9.50
15	A"	350	332	0.23

Atom	x (Å)	y (Å)
C1	-0.571	-0.530
N2	-1.071	-1.580
C3	0.000	0.776
H4	-0.696	1.596
C5	1.315	0.976
H6	2.009	0.154
H7	1.716	1.975

	C1	N2	C3	H4	C5	H6	H7
C1		1.1629	1.4258	2.1300	2.4142	2.6694	3.3918
N2	1.1629		2.5883	3.1983	3.4972	3.5348	4.5170
C3	1.4258	2.5883		1.0752	1.3305	2.1032	2.0930
H4	2.1300	3.1983	1.0752		2.1044	3.0651	2.4411
C5	2.4142	3.4972	1.3305	2.1044		1.0758	1.0756
H6	2.6694	3.5348	2.1032	3.0651	1.0758		1.8439
H7	3.3918	4.5170	2.0930	2.4411	1.0756	1.8439

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H4	116.079	C1	C3	C5	122.261
N2	C1	C3	178.147	C3	C5	H6	121.503
C3	C5	H7	120.518	H4	C3	C5	121.660
H6	C5	H7	117.979

All results from a given calculation for C₃H₃N (acrylonitrile)

using model chemistry: MP2=FULL/cc-pVTZ

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/cc-pVTZ

States and conformations

All results from a given calculation for C₃H₃N (acrylonitrile)