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	hartrees
Energy at 0K	-209.637432
Energy at 298.15K	-209.641931
HF Energy	-208.845546
Nuclear repulsion energy	141.420496

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3231	3060	3.90
2	A	3201	3032	9.31
3	A	3185	3017	1.68
4	A	3081	2918	8.06
5	A	2189	2073	0.71
6	A	1700	1610	2.52
7	A	1523	1443	16.46
8	A	1459	1382	8.60
9	A	1420	1345	2.52
10	A	1277	1209	0.41
11	A	1142	1081	0.35
12	A	981	929	13.31
13	A	919	870	1.37
14	A	664	629	1.64
15	A	397	376	0.10
16	A	160	151	4.10
17	A	3155	2988	9.13
18	A	1519	1439	11.24
19	A	1081	1023	1.05
20	A	964	913	0.09
21	A	746	707	46.63
22	A	514	487	3.46
23	A	278	263	2.36
24	A	136	129	0.07

Atom	x (Å)	y (Å)	z (Å)
C1	-1.214	0.247	0.000
N2	-2.214	-0.374	0.000
C3	0.000	1.004	0.000
H4	-0.100	2.085	0.000
C5	1.214	0.421	0.000
H6	2.080	1.081	0.000
C7	1.475	-1.049	0.000
H8	0.549	-1.626	0.000
H9	2.061	-1.331	0.879
H10	2.061	-1.331	-0.879

	C1	N2	C3	H4	C5	H6	C7	H8	H9	H10
C1		1.1763	1.4308	2.1493	2.4342	3.3981	2.9852	2.5722	3.7407	3.7407
N2	1.1763		2.6071	3.2421	3.5181	4.5330	3.7496	3.0329	4.4679	4.4679
C3	1.4308	2.6071		1.0858	1.3462	2.0813	2.5279	2.6863	3.2363	3.2363
H4	2.1493	3.2421	1.0858		2.1198	2.4002	3.5077	3.7671	4.1369	4.1369
C5	2.4342	3.5181	1.3462	2.1198		1.0887	1.4937	2.1524	2.1360	2.1360
H6	3.3981	4.5330	2.0813	2.4002	1.0887		2.2144	3.1096	2.5672	2.5672
C7	2.9852	3.7496	2.5279	3.5077	1.4937	2.2144		1.0906	1.0937	1.0937
H8	2.5722	3.0329	2.6863	3.7671	2.1524	3.1096	1.0906		1.7739	1.7739
H9	3.7407	4.4679	3.2363	4.1369	2.1360	2.5672	1.0937	1.7739		1.7581
H10	3.7407	4.4679	3.2363	4.1369	2.1360	2.5672	1.0937	1.7739	1.7581

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H4	116.638	C1	C3	C5	122.432
N2	C1	C3	179.918	C3	C5	H6	117.084
C3	C5	C7	125.702	H4	C3	C5	120.930
C5	C7	H8	111.842	C5	C7	H9	110.331
C5	C7	H10	110.331	H6	C5	C7	117.214
H8	C7	H9	108.605	H8	C7	H10	108.605
H9	C7	H10	106.981

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

using model chemistry: MP2=FULL/6-311G*

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/6-311G*

States and conformations

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