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	hartrees
Energy at 0K	-209.567367
Energy at 298.15K	-209.571881
HF Energy	-208.821819
Nuclear repulsion energy	141.667189

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3305	3078	3.32
2	A'	3267	3044	9.54
3	A'	3236	3014	4.27
4	A'	3130	2916	11.00
5	A'	2426	2260	9.30
6	A'	1756	1636	4.51
7	A'	1542	1436	11.65
8	A'	1486	1384	4.13
9	A'	1446	1347	2.72
10	A'	1296	1207	0.20
11	A'	1157	1078	0.13
12	A'	992	924	11.52
13	A'	927	863	1.46
14	A'	671	625	0.95
15	A'	400	372	0.14
16	A'	161	150	4.54
17	A"	3202	2983	10.72
18	A"	1532	1427	7.99
19	A"	1097	1022	2.83
20	A"	988	920	0.28
21	A"	747	696	42.87
22	A"	497	463	1.87
23	A"	277	258	2.42
24	A"	138	129	0.04

Atom	x (Å)	y (Å)	z (Å)
C1	-1.223	0.227	0.000
N2	-2.235	-0.341	0.000
C3	0.000	0.991	0.000
H4	-0.117	2.064	0.000
C5	1.213	0.419	0.000
H6	2.072	1.077	0.000
C7	1.498	-1.051	0.000
H8	0.584	-1.638	0.000
H9	2.086	-1.318	0.878
H10	2.086	-1.318	-0.878

	C1	N2	C3	H4	C5	H6	C7	H8	H9	H10
C1		1.1605	1.4418	2.1442	2.4431	3.4027	3.0058	2.5967	3.7550	3.7550
N2	1.1605		2.6016	3.2043	3.5304	4.5344	3.7998	3.1032	4.5156	4.5156
C3	1.4418	2.6016		1.0794	1.3414	2.0740	2.5327	2.6936	3.2328	3.2328
H4	2.1442	3.2043	1.0794		2.1160	2.4017	3.5090	3.7684	4.1304	4.1304
C5	2.4431	3.5304	1.3414	2.1160		1.0825	1.4969	2.1509	2.1322	2.1322
H6	3.4027	4.5344	2.0740	2.4017	1.0825		2.2040	3.0964	2.5505	2.5505
C7	3.0058	3.7998	2.5327	3.5090	1.4969	2.2040		1.0865	1.0892	1.0892
H8	2.5967	3.1032	2.6936	3.7684	2.1509	3.0964	1.0865		1.7685	1.7685
H9	3.7550	4.5156	3.2328	4.1304	2.1322	2.5505	1.0892	1.7685		1.7550
H10	3.7550	4.5156	3.2328	4.1304	2.1322	2.5505	1.0892	1.7685	1.7550

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H4	115.778	C1	C3	C5	122.719
N2	C1	C3	177.270	C3	C5	H6	117.265
C3	C5	C7	126.250	H4	C3	C5	121.503
C5	C7	H8	111.747	C5	C7	H9	110.073
C5	C7	H10	110.073	H6	C5	C7	116.484
H8	C7	H9	108.744	H8	C7	H10	108.744
H9	C7	H10	107.342

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

using model chemistry: MP3=FULL/6-31+G**

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: MP3=FULL/6-31+G**

States and conformations

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