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	hartrees
Energy at 0K	-170.327257
Energy at 298.15K	-170.329630
HF Energy	-169.765973
Nuclear repulsion energy	89.956459

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3324	3119	2.72
2	A'	3262	3061	0.77
3	A'	3231	3032	0.24
4	A'	2443	2292	2.86
5	A'	1738	1630	2.05
6	A'	1490	1398	4.77
7	A'	1358	1274	0.32
8	A'	1145	1074	4.11
9	A'	904	849	1.40
10	A'	582	546	0.03
11	A'	239	224	3.22
12	A"	1014	952	32.26
13	A"	980	920	30.73
14	A"	705	661	10.83
15	A"	348	327	0.64

Atom	x (Å)	y (Å)
C1	-0.576	-0.539
N2	-1.076	-1.585
C3	0.000	0.783
H4	-0.706	1.608
C5	1.323	0.980
H6	2.027	0.155
H7	1.734	1.984

	C1	N2	C3	H4	C5	H6	H7
C1		1.1598	1.4418	2.1509	2.4314	2.6943	3.4201
N2	1.1598		2.6011	3.2146	3.5120	3.5581	4.5422
C3	1.4418	2.6011		1.0859	1.3373	2.1226	2.1088
H4	2.1509	3.2146	1.0859		2.1236	3.0957	2.4682
C5	2.4314	3.5120	1.3373	2.1236		1.0852	1.0846
H6	2.6943	3.5581	2.1226	3.0957	1.0852		1.8525
H7	3.4201	4.5422	2.1088	2.4682	1.0846	1.8525

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H4	115.911	C1	C3	C5	122.014
N2	C1	C3	177.991	C3	C5	H6	122.031
C3	C5	H7	120.727	H4	C3	C5	122.074
H6	C5	H7	117.242

All results from a given calculation for C₃H₃N (acrylonitrile)

using model chemistry: MP3=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: MP3=FULL/6-31G*

States and conformations

All results from a given calculation for C₃H₃N (acrylonitrile)