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	hartrees
Energy at 0K	-209.534503
Energy at 298.15K	-209.539035
HF Energy	-208.812357
Nuclear repulsion energy	141.500001

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3285	3070	4.21
2	A	3256	3042	9.44
3	A	3241	3029	1.71
4	A	3129	2924	8.67
5	A	2206	2061	0.69
6	A	1726	1613	2.08
7	A	1545	1443	9.75
8	A	1477	1380	4.45
9	A	1436	1342	1.85
10	A	1289	1204	0.09
11	A	1152	1076	0.51
12	A	991	926	10.80
13	A	928	867	1.44
14	A	664	621	1.79
15	A	396	370	0.12
16	A	159	149	4.53
17	A	3213	3002	9.79
18	A	1541	1440	7.10
19	A	1096	1024	0.81
20	A	989	924	0.25
21	A	757	707	36.62
22	A	512	478	1.05
23	A	279	260	3.15
24	A	149	140	0.03

Atom	x (Å)	y (Å)	z (Å)
C1	-1.211	0.243	0.000
N2	-2.215	-0.382	0.000
C3	0.000	1.003	0.000
H4	-0.105	2.079	0.000
C5	1.214	0.425	0.000
H6	2.075	1.082	0.000
C7	1.476	-1.043	0.000
H8	0.551	-1.613	0.000
H9	2.058	-1.323	0.877
H10	2.058	-1.323	-0.877

	C1	N2	C3	H4	C5	H6	C7	H8	H9	H10
C1		1.1824	1.4304	2.1443	2.4317	3.3919	2.9788	2.5591	3.7297	3.7297
N2	1.1824		2.6128	3.2422	3.5227	4.5335	3.7502	3.0282	4.4633	4.4633
C3	1.4304	2.6128		1.0808	1.3441	2.0766	2.5230	2.6739	3.2278	3.2278
H4	2.1443	3.2422	1.0808		2.1148	2.3967	3.4993	3.7500	4.1259	4.1259
C5	2.4317	3.5227	1.3441	2.1148		1.0835	1.4915	2.1435	2.1307	2.1307
H6	3.3919	4.5335	2.0766	2.3967	1.0835		2.2081	3.0965	2.5604	2.5604
C7	2.9788	3.7502	2.5230	3.4993	1.4915	2.2081		1.0865	1.0893	1.0893
H8	2.5591	3.0282	2.6739	3.7500	2.1435	3.0965	1.0865		1.7678	1.7678
H9	3.7297	4.4633	3.2278	4.1259	2.1307	2.5604	1.0893	1.7678		1.7535
H10	3.7297	4.4633	3.2278	4.1259	2.1307	2.5604	1.0893	1.7678	1.7535

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H4	116.583	C1	C3	C5	122.400
N2	C1	C3	179.731	C3	C5	H6	117.203
C3	C5	C7	125.599	H4	C3	C5	121.017
C5	C7	H8	111.523	C5	C7	H9	110.326
C5	C7	H10	110.326	H6	C5	C7	117.198
H8	C7	H9	108.673	H8	C7	H10	108.673
H9	C7	H10	107.197

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

using model chemistry: MP2=FULL/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: MP2=FULL/6-31G**

States and conformations

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