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	hartrees
Energy at 0K	-34.835256
Energy at 298.15K	-34.839600
HF Energy	-34.398607
Nuclear repulsion energy	71.574138

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3202	3094	25.71
2	A	3158	3051	32.07
3	A	3142	3036	5.35
4	A	3033	2931	25.41
5	A	2017	1949	6.15
6	A	1652	1597	0.36
7	A	1519	1467	12.36
8	A	1464	1415	6.99
9	A	1406	1359	1.15
10	A	1269	1227	0.73
11	A	1134	1096	1.26
12	A	963	930	12.27
13	A	877	847	1.24
14	A	638	617	0.62
15	A	367	355	0.12
16	A	151	146	3.05
17	A	3121	3016	37.80
18	A	1507	1456	12.29
19	A	1085	1048	1.69
20	A	939	908	0.27
21	A	757	732	56.48
22	A	480	464	6.90
23	A	257	249	1.30
24	A	128	123	0.13

Atom	x (Å)	y (Å)	z (Å)
C1	-1.257	0.251	0.000
N2	-2.303	-0.395	0.000
C3	0.000	1.035	0.000
H4	-0.110	2.128	0.000
C5	1.259	0.440	0.000
H6	2.134	1.114	0.000
C7	1.537	-1.075	0.000
H8	0.597	-1.662	0.000
H9	2.132	-1.358	0.896
H10	2.132	-1.358	-0.896

	C1	N2	C3	H4	C5	H6	C7	H8	H9	H10
C1		1.2300	1.4810	2.2002	2.5224	3.4981	3.0926	2.6636	3.8561	3.8561
N2	1.2300		2.7110	3.3437	3.6585	4.6863	3.9004	3.1650	4.6257	4.6257
C3	1.4810	2.7110		1.0992	1.3924	2.1350	2.6107	2.7620	3.3272	3.3272
H4	2.2002	3.3437	1.0992		2.1736	2.4620	3.6022	3.8557	4.2402	4.2402
C5	2.5224	3.6585	1.3924	2.1736		1.1043	1.5403	2.2033	2.1899	2.1899
H6	3.4981	4.6863	2.1350	2.4620	1.1043		2.2686	3.1725	2.6288	2.6288
C7	3.0926	3.9004	2.6107	3.6022	1.5403	2.2686		1.1084	1.1119	1.1119
H8	2.6636	3.1650	2.7620	3.8557	2.2033	3.1725	1.1084		1.8030	1.8030
H9	3.8561	4.6257	3.3272	4.2402	2.1899	2.6288	1.1119	1.8030		1.7930
H10	3.8561	4.6257	3.3272	4.2402	2.1899	2.6288	1.1119	1.8030	1.7930

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H4	116.236	C1	C3	C5	122.738
N2	C1	C3	179.718	C3	C5	H6	117.086
C3	C5	C7	125.724	H4	C3	C5	121.026
C5	C7	H8	111.543	C5	C7	H9	110.270
C5	C7	H10	110.270	H6	C5	C7	117.190
H8	C7	H9	108.593	H8	C7	H10	108.593
H9	C7	H10	107.459

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

using model chemistry: MP2/CEP-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: MP2/CEP-31G

States and conformations

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