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	hartrees
Energy at 0K	-209.387936
Energy at 298.15K	-209.392604
HF Energy	-208.808886
Nuclear repulsion energy	142.104355

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3331	3077	3.61
2	A	3292	3041	9.83
3	A	3264	3015	3.56
4	A	3161	2920	10.18
5	A	2480	2290	14.39
6	A	1818	1679	11.44
7	A	1578	1458	12.49
8	A	1524	1408	4.20
9	A	1481	1368	2.27
10	A	1330	1228	0.28
11	A	1188	1097	0.37
12	A	1015	937	11.89
13	A	948	875	0.91
14	A	693	640	1.75
15	A	419	387	0.28
16	A	169	156	5.13
17	A	3225	2979	12.32
18	A	1574	1454	9.03
19	A	1142	1055	0.55
20	A	1039	959	0.93
21	A	794	734	44.50
22	A	547	505	0.95
23	A	298	275	3.25
24	A	151	139	0.01

Atom	x (Å)	y (Å)	z (Å)
C1	-1.221	0.236	0.000
N2	-2.208	-0.361	0.000
C3	0.000	0.995	0.000
H4	-0.112	2.068	0.000
C5	1.202	0.422	0.000
H6	2.062	1.079	0.000
C7	1.484	-1.045	0.000
H8	0.571	-1.635	0.000
H9	2.073	-1.315	0.877
H10	2.073	-1.315	-0.877

	C1	N2	C3	H4	C5	H6	C7	H8	H9	H10
C1		1.1532	1.4375	2.1417	2.4298	3.3897	2.9934	2.5906	3.7449	3.7449
N2	1.1532		2.5906	3.2081	3.4981	4.5061	3.7550	3.0570	4.4725	4.4725
C3	1.4375	2.5906		1.0795	1.3311	2.0638	2.5228	2.6905	3.2248	3.2248
H4	2.1417	3.2081	1.0795		2.1063	2.3886	3.4990	3.7654	4.1218	4.1218
C5	2.4298	3.4981	1.3311	2.1063		1.0828	1.4942	2.1510	2.1319	2.1319
H6	3.3897	4.5061	2.0638	2.3886	1.0828		2.2017	3.0964	2.5498	2.5498
C7	2.9934	3.7550	2.5228	3.4990	1.4942	2.2017		1.0867	1.0902	1.0902
H8	2.5906	3.0570	2.6905	3.7654	2.1510	3.0964	1.0867		1.7682	1.7682
H9	3.7449	4.4725	3.2248	4.1218	2.1319	2.5498	1.0902	1.7682		1.7544
H10	3.7449	4.4725	3.2248	4.1218	2.1319	2.5498	1.0902	1.7682	1.7544

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H4	115.888	C1	C3	C5	122.670
N2	C1	C3	179.316	C3	C5	H6	117.141
C3	C5	C7	126.383	H4	C3	C5	121.442
C5	C7	H8	111.934	C5	C7	H9	110.178
C5	C7	H10	110.178	H6	C5	C7	116.475
H8	C7	H9	108.630	H8	C7	H10	108.630
H9	C7	H10	107.152

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

using model chemistry: CID/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: CID/6-31G*

States and conformations

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