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	hartrees
Energy at 0K	-35.193775
Energy at 298.15K	-35.198153
HF Energy	-34.520459
Nuclear repulsion energy	73.364450

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3234	3082	4.95
2	A	3198	3047	12.93
3	A	3182	3032	2.54
4	A	3068	2923	12.48
5	A	2125	2024	0.63
6	A	1672	1593	2.15
7	A	1522	1450	13.87
8	A	1455	1386	5.99
9	A	1402	1336	1.77
10	A	1264	1204	0.36
11	A	1132	1078	0.37
12	A	966	920	11.64
13	A	901	858	1.25
14	A	648	617	1.00
15	A	382	364	0.04
16	A	155	148	3.83
17	A	3150	3001	13.39
18	A	1516	1444	9.87
19	A	1073	1022	3.16
20	A	936	892	0.00
21	A	733	699	47.20
22	A	482	460	3.19
23	A	259	247	1.89
24	A	127	121	0.11

Atom	x (Å)	y (Å)	z (Å)
C1	-1.263	0.331	0.000
N2	-2.302	-0.248	0.000
C3	0.000	1.039	0.000
H4	-0.051	2.124	0.000
C5	1.189	0.386	0.000
H6	2.090	1.000	0.000
C7	1.369	-1.110	0.000
H8	0.408	-1.629	0.000
H9	1.940	-1.420	0.883
H10	1.940	-1.420	-0.883

	C1	N2	C3	H4	C5	H6	C7	H8	H9	H10
C1		1.1892	1.4475	2.1645	2.4517	3.4182	3.0004	2.5754	3.7551	3.7551
N2	1.1892		2.6367	3.2698	3.5472	4.5649	3.7709	3.0416	4.4883	4.4883
C3	1.4475	2.6367		1.0868	1.3560	2.0900	2.5480	2.6992	3.2541	3.2541
H4	2.1645	3.2698	1.0868		2.1350	2.4182	3.5325	3.7817	4.1601	4.1601
C5	2.4517	3.5472	1.3560	2.1350		1.0901	1.5069	2.1613	2.1462	2.1462
H6	3.4182	4.5649	2.0900	2.4182	1.0901		2.2291	3.1207	2.5800	2.5800
C7	3.0004	3.7709	2.5480	3.5325	1.5069	2.2291		1.0926	1.0960	1.0960
H8	2.5754	3.0416	2.6992	3.7817	2.1613	3.1207	1.0926		1.7804	1.7804
H9	3.7551	4.4883	3.2541	4.1601	2.1462	2.5800	1.0960	1.7804		1.7658
H10	3.7551	4.4883	3.2541	4.1601	2.1462	2.5800	1.0960	1.7804	1.7658

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H4	116.597	C1	C3	C5	121.942
N2	C1	C3	179.817	C3	C5	H6	116.978
C3	C5	C7	125.663	H4	C3	C5	121.461
C5	C7	H8	111.494	C5	C7	H9	110.082
C5	C7	H10	110.082	H6	C5	C7	117.359
H8	C7	H9	108.876	H8	C7	H10	108.876
H9	C7	H10	107.326

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

using model chemistry: MP2/CEP-121G*

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/CEP-121G*

States and conformations

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