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	hartrees
Energy at 0K	-209.787791
Energy at 298.15K	-209.792391
HF Energy	-208.878392
Nuclear repulsion energy	142.500535

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3255	3090	2.52
2	A'	3215	3052	4.90
3	A'	3180	3019	1.89
4	A'	3089	2933	6.65
5	A'	2206	2095	0.11
6	A'	1707	1620	3.70
7	A'	1508	1432	13.37
8	A'	1444	1371	4.62
9	A'	1408	1337	3.42
10	A'	1273	1209	0.24
11	A'	1135	1078	0.22
12	A'	981	931	12.87
13	A'	924	877	1.86
14	A'	661	628	1.76
15	A'	389	369	0.13
16	A'	155	147	4.53
17	A"	3151	2991	5.65
18	A"	1508	1432	7.72
19	A"	1084	1029	1.14
20	A"	1010	959	0.69
21	A"	776	737	36.33
22	A"	532	506	2.78
23	A"	290	276	2.84
24	A"	167	158	0.04

Atom	x (Å)	y (Å)	z (Å)
C1	-1.207	0.238	0.000
N2	-2.198	-0.372	0.000
C3	0.000	0.994	0.000
H4	-0.110	2.064	0.000
C5	1.204	0.422	0.000
H6	2.064	1.073	0.000
C7	1.467	-1.038	0.000
H8	0.546	-1.609	0.000
H9	2.051	-1.311	0.875
H10	2.051	-1.311	-0.875

	C1	N2	C3	H4	C5	H6	C7	H8	H9	H10
C1		1.1634	1.4243	2.1299	2.4178	3.3755	2.9629	2.5466	3.7115	3.7115
N2	1.1634		2.5877	3.2077	3.4932	4.4998	3.7253	3.0103	4.4383	4.4383
C3	1.4243	2.5877		1.0752	1.3330	2.0652	2.5063	2.6602	3.2067	3.2067
H4	2.1299	3.2077	1.0752		2.1029	2.3890	3.4796	3.7312	4.1013	4.1013
C5	2.4178	3.4932	1.3330	2.1029		1.0784	1.4832	2.1351	2.1176	2.1176
H6	3.3755	4.4998	2.0652	2.3890	1.0784		2.1932	3.0817	2.5390	2.5390
C7	2.9629	3.7253	2.5063	3.4796	1.4832	2.1932		1.0841	1.0865	1.0865
H8	2.5466	3.0103	2.6602	3.7312	2.1351	3.0817	1.0841		1.7659	1.7659
H9	3.7115	4.4383	3.2067	4.1013	2.1176	2.5390	1.0865	1.7659		1.7501
H10	3.7115	4.4383	3.2067	4.1013	2.1176	2.5390	1.0865	1.7659	1.7501

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H4	116.192	C1	C3	C5	122.502
N2	C1	C3	179.517	C3	C5	H6	117.448
C3	C5	C7	125.654	H4	C3	C5	121.305
C5	C7	H8	111.589	C5	C7	H9	110.028
C5	C7	H10	110.028	H6	C5	C7	116.897
H8	C7	H9	108.895	H8	C7	H10	108.895
H9	C7	H10	107.297

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

using model chemistry: MP2=FULL/cc-pVTZ

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=FULL/cc-pVTZ

States and conformations

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