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	hartrees
Energy at 0K	-209.494188
Energy at 298.15K	-209.498704
HF Energy	-208.803606
Nuclear repulsion energy	141.307780

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3258	3069	3.28
2	A	3226	3040	8.66
3	A	3209	3023	1.86
4	A	3104	2924	7.11
5	A	2205	2078	0.49
6	A	1723	1623	2.36
7	A	1547	1458	11.98
8	A	1480	1395	6.75
9	A	1439	1355	1.61
10	A	1293	1218	0.24
11	A	1155	1088	0.66
12	A	993	936	11.91
13	A	928	874	1.35
14	A	666	627	1.88
15	A	397	374	0.14
16	A	159	150	4.50
17	A	3180	2996	8.57
18	A	1543	1454	8.88
19	A	1101	1038	0.52
20	A	980	923	0.17
21	A	756	712	41.45
22	A	513	484	1.51
23	A	279	263	3.10
24	A	147	139	0.04

Atom	x (Å)	y (Å)	z (Å)
C1	-1.212	0.243	0.000
N2	-2.219	-0.377	0.000
C3	0.000	1.003	0.000
H4	-0.105	2.084	0.000
C5	1.214	0.424	0.000
H6	2.080	1.083	0.000
C7	1.478	-1.045	0.000
H8	0.550	-1.621	0.000
H9	2.064	-1.328	0.880
H10	2.064	-1.328	-0.880

	C1	N2	C3	H4	C5	H6	C7	H8	H9	H10
C1		1.1824	1.4310	2.1485	2.4324	3.3975	2.9824	2.5647	3.7381	3.7381
N2	1.1824		2.6133	3.2442	3.5250	4.5402	3.7572	3.0361	4.4750	4.4750
C3	1.4310	2.6133		1.0857	1.3449	2.0816	2.5264	2.6815	3.2359	3.2359
H4	2.1485	3.2442	1.0857		2.1202	2.4038	3.5071	3.7625	4.1379	4.1379
C5	2.4324	3.5250	1.3449	2.1202		1.0883	1.4930	2.1499	2.1372	2.1372
H6	3.3975	4.5402	2.0816	2.4038	1.0883		2.2115	3.1063	2.5663	2.5663
C7	2.9824	3.7572	2.5264	3.5071	1.4930	2.2115		1.0918	1.0946	1.0946
H8	2.5647	3.0361	2.6815	3.7625	2.1499	3.1063	1.0918		1.7755	1.7755
H9	3.7381	4.4750	3.2359	4.1379	2.1372	2.5663	1.0946	1.7755		1.7607
H10	3.7381	4.4750	3.2359	4.1379	2.1372	2.5663	1.0946	1.7755	1.7607

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H4	116.567	C1	C3	C5	122.353
N2	C1	C3	179.462	C3	C5	H6	117.238
C3	C5	C7	125.722	H4	C3	C5	121.080
C5	C7	H8	111.615	C5	C7	H9	110.418
C5	C7	H10	110.418	H6	C5	C7	117.040
H8	C7	H9	108.589	H8	C7	H10	108.589
H9	C7	H10	107.074

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

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 C4H5N ((Z)-2-Butenenitrile)

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

States and conformations

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