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	hartrees
Energy at 0K	-209.194507
Energy at 298.15K	-209.198898
HF Energy	-208.710619
Nuclear repulsion energy	139.426401

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3216	3077	10.15
2	A	3183	3045	11.91
3	A	3150	3014	7.23
4	A	3057	2925	12.48
5	A	2095	2005	3.11
6	A	1687	1614	0.20
7	A	1562	1494	10.20
8	A	1492	1428	8.13
9	A	1457	1394	0.81
10	A	1311	1254	0.36
11	A	1160	1109	1.38
12	A	983	940	10.33
13	A	894	855	1.22
14	A	666	638	0.77
15	A	378	361	0.03
16	A	152	145	3.85
17	A	3129	2994	16.60
18	A	1554	1486	9.17
19	A	1122	1074	0.60
20	A	982	940	0.32
21	A	762	729	42.10
22	A	473	452	3.13
23	A	240	229	2.09
24	A	131	126	0.03

Atom	x (Å)	y (Å)	z (Å)
C1	-1.236	0.251	0.000
N2	-2.265	-0.373	0.000
C3	0.000	1.004	0.000
H4	-0.101	2.089	0.000
C5	1.231	0.428	0.000
H6	2.098	1.091	0.000
C7	1.516	-1.058	0.000
H8	0.587	-1.642	0.000
H9	2.103	-1.341	0.887
H10	2.103	-1.341	-0.887

	C1	N2	C3	H4	C5	H6	C7	H8	H9	H10
C1		1.2037	1.4471	2.1600	2.4726	3.4378	3.0476	2.6282	3.8034	3.8034
N2	1.2037		2.6508	3.2778	3.5860	4.6020	3.8428	3.1215	4.5607	4.5607
C3	1.4471	2.6508		1.0898	1.3590	2.0996	2.5599	2.7111	3.2721	3.2721
H4	2.1600	3.2778	1.0898		2.1297	2.4151	3.5389	3.7949	4.1725	4.1725
C5	2.4726	3.5860	1.3590	2.1297		1.0921	1.5130	2.1681	2.1618	2.1618
H6	3.4378	4.6020	2.0996	2.4151	1.0921		2.2268	3.1238	2.5885	2.5885
C7	3.0476	3.8428	2.5599	3.5389	1.5130	2.2268		1.0981	1.0999	1.0999
H8	2.6282	3.1215	2.7111	3.7949	2.1681	3.1238	1.0981		1.7821	1.7821
H9	3.8034	4.5607	3.2721	4.1725	2.1618	2.5885	1.0999	1.7821		1.7731
H10	3.8034	4.5607	3.2721	4.1725	2.1618	2.5885	1.0999	1.7821	1.7731

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H4	116.020	C1	C3	C5	123.533
N2	C1	C3	179.873	C3	C5	H6	117.467
C3	C5	C7	125.992	H4	C3	C5	120.448
C5	C7	H8	111.270	C5	C7	H9	110.663
C5	C7	H10	110.663	H6	C5	C7	116.541
H8	C7	H9	108.350	H8	C7	H10	108.350
H9	C7	H10	107.420

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

using model chemistry: MP2/6-31G

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: MP2/6-31G

States and conformations

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