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	hartrees
Energy at 0K	-209.546178
Energy at 298.15K	-209.550627
HF Energy	-208.817676
Nuclear repulsion energy	141.318900

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3283	3083	3.82
2	A	3251	3054	8.66
3	A	3232	3035	2.06
4	A	3119	2929	9.61
5	A	2191	2058	0.16
6	A	1712	1608	2.75
7	A	1532	1439	13.20
8	A	1469	1380	5.48
9	A	1430	1343	2.42
10	A	1284	1206	0.21
11	A	1147	1078	0.30
12	A	986	926	11.63
13	A	922	866	1.61
14	A	660	619	1.22
15	A	389	365	0.09
16	A	155	145	4.23
17	A	3201	3007	7.83
18	A	1523	1430	8.57
19	A	1084	1018	2.68
20	A	975	916	0.14
21	A	740	695	43.87
22	A	481	452	2.34
23	A	268	252	2.29
24	A	137	129	0.08

Atom	x (Å)	y (Å)	z (Å)
C1	-1.213	0.241	0.000
N2	-2.223	-0.376	0.000
C3	0.000	1.003	0.000
H4	-0.105	2.079	0.000
C5	1.216	0.423	0.000
H6	2.076	1.083	0.000
C7	1.480	-1.045	0.000
H8	0.557	-1.619	0.000
H9	2.064	-1.323	0.877
H10	2.064	-1.323	-0.877

	C1	N2	C3	H4	C5	H6	C7	H8	H9	H10
C1		1.1835	1.4317	2.1450	2.4353	3.3943	2.9846	2.5677	3.7359	3.7359
N2	1.1835		2.6152	3.2412	3.5300	4.5390	3.7630	3.0450	4.4772	4.4772
C3	1.4317	2.6152		1.0811	1.3468	2.0772	2.5269	2.6803	3.2313	3.2313
H4	2.1450	3.2412	1.0811		2.1179	2.3975	3.5033	3.7566	4.1293	4.1293
C5	2.4353	3.5300	1.3468	2.1179		1.0837	1.4922	2.1461	2.1309	2.1309
H6	3.3943	4.5390	2.0772	2.3975	1.0837		2.2100	3.0997	2.5614	2.5614
C7	2.9846	3.7630	2.5269	3.5033	1.4922	2.2100		1.0872	1.0899	1.0899
H8	2.5677	3.0450	2.6803	3.7566	2.1461	3.0997	1.0872		1.7689	1.7689
H9	3.7359	4.4772	3.2313	4.1293	2.1309	2.5614	1.0899	1.7689		1.7545
H10	3.7359	4.4772	3.2313	4.1293	2.1309	2.5614	1.0899	1.7689	1.7545

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H4	116.524	C1	C3	C5	122.408
N2	C1	C3	179.307	C3	C5	H6	117.025
C3	C5	C7	125.684	H4	C3	C5	121.068
C5	C7	H8	111.651	C5	C7	H9	110.251
C5	C7	H10	110.251	H6	C5	C7	117.291
H8	C7	H9	108.682	H8	C7	H10	108.682
H9	C7	H10	107.198

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

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

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/6-31+G**

States and conformations

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