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	hartrees
Energy at 0K	-209.712210
Energy at 298.15K	-209.716741
HF Energy	-208.877431
Nuclear repulsion energy	141.926391

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3241	3077	2.21
2	A'	3204	3043	5.75
3	A'	3178	3017	1.82
4	A'	3073	2918	6.91
5	A'	2183	2072	0.19
6	A'	1691	1605	3.27
7	A'	1498	1422	12.79
8	A'	1434	1362	4.55
9	A'	1398	1328	2.85
10	A'	1258	1195	0.20
11	A'	1127	1070	0.23
12	A'	972	922	12.65
13	A'	916	870	1.73
14	A'	658	624	1.63
15	A'	388	368	0.12
16	A'	155	147	4.47
17	A"	3147	2988	6.09
18	A"	1497	1421	7.52
19	A"	1071	1017	1.24
20	A"	992	942	0.47
21	A"	752	714	36.60
22	A"	515	489	2.68
23	A"	281	267	2.61
24	A"	153	145	0.02

Atom	x (Å)	y (Å)	z (Å)
C1	-1.213	0.238	0.000
N2	-2.208	-0.372	0.000
C3	0.000	0.998	0.000
H4	-0.111	2.073	0.000
C5	1.209	0.423	0.000
H6	2.072	1.079	0.000
C7	1.474	-1.043	0.000
H8	0.552	-1.619	0.000
H9	2.060	-1.317	0.877
H10	2.060	-1.317	-0.877

	C1	N2	C3	H4	C5	H6	C7	H8	H9	H10
C1		1.1664	1.4317	2.1400	2.4293	3.3909	2.9773	2.5618	3.7285	3.7285
N2	1.1664		2.5981	3.2201	3.5078	4.5186	3.7427	3.0280	4.4582	4.4582
C3	1.4317	2.5981		1.0802	1.3387	2.0733	2.5180	2.6744	3.2207	3.2207
H4	2.1400	3.2201	1.0802		2.1126	2.3985	3.4959	3.7503	4.1198	4.1198
C5	2.4293	3.5078	1.3387	2.1126		1.0837	1.4902	2.1451	2.1265	2.1265
H6	3.3909	4.5186	2.0733	2.3985	1.0837		2.2046	3.0965	2.5515	2.5515
C7	2.9773	3.7427	2.5180	3.4959	1.4902	2.2046		1.0874	1.0897	1.0897
H8	2.5618	3.0280	2.6744	3.7503	2.1451	3.0965	1.0874		1.7707	1.7707
H9	3.7285	4.4582	3.2207	4.1198	2.1265	2.5515	1.0897	1.7707		1.7544
H10	3.7285	4.4582	3.2207	4.1198	2.1265	2.5515	1.0897	1.7707	1.7544

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H4	116.152	C1	C3	C5	122.504
N2	C1	C3	179.452	C3	C5	H6	117.335
C3	C5	C7	125.689	H4	C3	C5	121.344
C5	C7	H8	111.701	C5	C7	H9	110.060
C5	C7	H10	110.060	H6	C5	C7	116.976
H8	C7	H9	108.845	H8	C7	H10	108.845
H9	C7	H10	107.212

All results from a given calculation for C₄H₅N ((Z)-2-Butenenitrile)

using model chemistry: MP2/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 C4H5N ((Z)-2-Butenenitrile)

using model chemistry: MP2/cc-pVTZ

States and conformations

All results from a given calculation for C₄H₅N ((Z)-2-Butenenitrile)