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	hartrees
Energy at 0K	-209.491513
Energy at 298.15K	-209.496045
HF Energy	-208.807428
Nuclear repulsion energy	141.550454

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3260	3060	3.10
2	A	3223	3026	10.15
3	A	3201	3005	2.93
4	A	3104	2913	8.43
5	A	2433	2284	6.58
6	A	1762	1653	4.10
7	A	1545	1450	11.21
8	A	1487	1396	5.49
9	A	1447	1358	2.34
10	A	1299	1219	0.21
11	A	1160	1089	0.34
12	A	996	935	12.33
13	A	931	874	1.32
14	A	673	632	1.62
15	A	402	378	0.16
16	A	162	152	4.91
17	A	3169	2975	10.88
18	A	1540	1446	8.92
19	A	1106	1038	0.67
20	A	987	927	0.25
21	A	757	711	42.23
22	A	514	483	1.01
23	A	280	263	3.21
24	A	144	135	0.02

Atom	x (Å)	y (Å)	z (Å)
C1	-1.221	0.240	0.000
N2	-2.210	-0.370	0.000
C3	0.000	1.004	0.000
H4	-0.111	2.084	0.000
C5	1.209	0.424	0.000
H6	2.077	1.081	0.000
C7	1.480	-1.050	0.000
H8	0.555	-1.629	0.000
H9	2.068	-1.327	0.882
H10	2.068	-1.327	-0.882

	C1	N2	C3	H4	C5	H6	C7	H8	H9	H10
C1		1.1614	1.4403	2.1520	2.4372	3.4039	2.9932	2.5778	3.7479	3.7479
N2	1.1614		2.6017	3.2282	3.5099	4.5258	3.7521	3.0376	4.4709	4.4709
C3	1.4403	2.6017		1.0855	1.3410	2.0788	2.5313	2.6906	3.2381	3.2381
H4	2.1520	3.2282	1.0855		2.1208	2.4074	3.5142	3.7719	4.1421	4.1421
C5	2.4372	3.5099	1.3410	2.1208		1.0887	1.4983	2.1550	2.1402	2.1402
H6	3.4039	4.5258	2.0788	2.4074	1.0887		2.2126	3.1087	2.5644	2.5644
C7	2.9932	3.7521	2.5313	3.5142	1.4983	2.2126		1.0923	1.0952	1.0952
H8	2.5778	3.0376	2.6906	3.7719	2.1550	3.1087	1.0923		1.7772	1.7772
H9	3.7479	4.4709	3.2381	4.1421	2.1402	2.5644	1.0952	1.7772		1.7636
H10	3.7479	4.4709	3.2381	4.1421	2.1402	2.5644	1.0952	1.7772	1.7636

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H4	116.149	C1	C3	C5	122.352
N2	C1	C3	179.612	C3	C5	H6	117.269
C3	C5	C7	126.034	H4	C3	C5	121.499
C5	C7	H8	111.625	C5	C7	H9	110.252
C5	C7	H10	110.252	H6	C5	C7	116.696
H8	C7	H9	108.670	H8	C7	H10	108.670
H9	C7	H10	107.250

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

using model chemistry: MP3/6-31G*

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: MP3/6-31G*

States and conformations

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