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	hartrees
Energy at 0K	-209.510763
Energy at 298.15K	-209.515268
HF Energy	-208.812046
Nuclear repulsion energy	141.335354

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3287	3078	4.09
2	A	3255	3048	9.28
3	A	3238	3032	2.31
4	A	3126	2928	8.84
5	A	2199	2059	0.78
6	A	1723	1614	1.99
7	A	1542	1444	9.52
8	A	1475	1381	4.28
9	A	1433	1342	1.84
10	A	1287	1205	0.08
11	A	1150	1077	0.51
12	A	989	926	10.70
13	A	926	867	1.41
14	A	662	620	1.74
15	A	392	367	0.11
16	A	157	147	4.54
17	A	3208	3004	10.10
18	A	1538	1441	6.98
19	A	1094	1025	0.86
20	A	983	921	0.21
21	A	750	703	36.64
22	A	503	471	0.99
23	A	273	256	3.12
24	A	149	140	0.03

Atom	x (Å)	y (Å)	z (Å)
C1	-1.213	0.242	0.000
N2	-2.218	-0.383	0.000
C3	0.000	1.005	0.000
H4	-0.105	2.081	0.000
C5	1.215	0.426	0.000
H6	2.077	1.084	0.000
C7	1.478	-1.044	0.000
H8	0.552	-1.615	0.000
H9	2.061	-1.324	0.878
H10	2.061	-1.324	-0.878

	C1	N2	C3	H4	C5	H6	C7	H8	H9	H10
C1		1.1836	1.4327	2.1467	2.4346	3.3956	2.9823	2.5624	3.7341	3.7341
N2	1.1836		2.6163	3.2458	3.5267	4.5382	3.7544	3.0319	4.4684	4.4684
C3	1.4327	2.6163		1.0814	1.3456	2.0784	2.5262	2.6777	3.2317	3.2317
H4	2.1467	3.2458	1.0814		2.1170	2.3994	3.5032	3.7545	4.1306	4.1306
C5	2.4346	3.5267	1.3456	2.1170		1.0842	1.4934	2.1462	2.1333	2.1333
H6	3.3956	4.5382	2.0784	2.3994	1.0842		2.2101	3.0997	2.5630	2.5630
C7	2.9823	3.7544	2.5262	3.5032	1.4934	2.2101		1.0878	1.0905	1.0905
H8	2.5624	3.0319	2.6777	3.7545	2.1462	3.0997	1.0878		1.7696	1.7696
H9	3.7341	4.4684	3.2317	4.1306	2.1333	2.5630	1.0905	1.7696		1.7553
H10	3.7341	4.4684	3.2317	4.1306	2.1333	2.5630	1.0905	1.7696	1.7553

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H4	116.576	C1	C3	C5	122.364
N2	C1	C3	179.721	C3	C5	H6	117.197
C3	C5	C7	125.622	H4	C3	C5	121.060
C5	C7	H8	111.541	C5	C7	H9	110.333
C5	C7	H10	110.333	H6	C5	C7	117.181
H8	C7	H9	108.662	H8	C7	H10	108.662
H9	C7	H10	107.184

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)