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	hartrees
Energy at 0K	-248.692957
Energy at 298.15K	-248.699779
HF Energy	-247.849512
Nuclear repulsion energy	198.918731

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3283	3075	3.28
2	A	3241	3035	11.25
3	A	3234	3029	21.72
4	A	3227	3022	19.50
5	A	3190	2987	2.59
6	A	3131	2933	24.42
7	A	3126	2928	12.09
8	A	2198	2058	0.82
9	A	1715	1606	1.66
10	A	1564	1465	4.43
11	A	1558	1459	5.68
12	A	1539	1441	3.55
13	A	1464	1371	1.15
14	A	1453	1361	0.29
15	A	1377	1289	2.22
16	A	1332	1247	0.05
17	A	1283	1201	0.24
18	A	1170	1096	0.59
19	A	1124	1052	3.65
20	A	1067	999	3.05
21	A	988	925	0.45
22	A	982	920	2.81
23	A	890	833	3.26
24	A	825	772	4.52
25	A	770	721	34.73
26	A	663	621	1.62
27	A	556	520	0.31
28	A	392	367	0.28
29	A	363	340	0.05
30	A	250	234	0.27
31	A	211	198	3.47
32	A	149	139	4.45
33	A	54	50	0.99

Atom	x (Å)	y (Å)	z (Å)
C1	-1.728	-0.107	-0.082
N2	-2.440	-1.050	-0.008
C3	-0.877	1.042	-0.177
H4	-1.341	1.959	-0.514
C5	0.432	0.997	0.135
H6	1.001	1.914	0.027
C7	1.181	-0.215	0.586
H8	0.489	-1.046	0.732
H9	1.641	-0.004	1.555
C10	2.269	-0.608	-0.417
H11	1.828	-0.860	-1.380
H12	2.973	0.210	-0.570
H13	2.827	-1.472	-0.060

	C1	N2	C3	H4	C5	H6	C7	H8	H9	C10	H11	H12	H13
C1		1.1837	1.4328	2.1460	2.4352	3.3982	2.9869	2.5419	3.7471	4.0424	3.8596	4.7373	4.7554
N2	1.1837		2.6164	3.2428	3.5295	4.5422	3.7636	3.0221	4.4938	4.7480	4.4874	5.5867	5.2848
C3	1.4328	2.6164		1.0817	1.3461	2.0812	2.5295	2.6553	3.2302	3.5604	3.5182	3.9587	4.4780
H4	2.1460	3.2428	1.0817		2.1185	2.4040	3.5067	3.7323	4.1261	4.4305	4.3284	4.6556	5.4174
C5	2.4352	3.5295	1.3461	2.1185		1.0854	1.4948	2.1288	2.1169	2.5010	2.7730	2.7524	3.4454
H6	3.3982	4.5422	2.0812	2.4040	1.0854		2.2093	3.0858	2.5349	2.8577	3.2184	2.6743	3.8483
C7	2.9869	3.7636	2.5295	3.5067	1.4948	2.2093		1.0906	1.0930	1.5308	2.1674	2.1746	2.1693
H8	2.5419	3.0221	2.6553	3.7323	2.1288	3.0858	1.0906		1.7570	2.1634	2.5075	3.0728	2.5050
H9	3.7471	4.4938	3.2302	4.1261	2.1169	2.5349	1.0930	1.7570		2.1554	3.0623	2.5170	2.4835
C10	4.0424	4.7480	3.5604	4.4305	2.5010	2.8577	1.5308	2.1634	2.1554		1.0888	1.0897	1.0889
H11	3.8596	4.4874	3.5182	4.3284	2.7730	3.2184	2.1674	2.5075	3.0623	1.0888		1.7639	1.7650
H12	4.7373	5.5867	3.9587	4.6556	2.7524	2.6743	2.1746	3.0728	2.5170	1.0897	1.7639		1.7634
H13	4.7554	5.2848	4.4780	5.4174	3.4454	3.8483	2.1693	2.5050	2.4835	1.0889	1.7650	1.7634

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H4	116.485	C1	C3	C5	122.370
N2	C1	C3	179.398	C3	C5	H6	117.314
C3	C5	C7	125.759	H4	C3	C5	121.145
C5	C7	H8	109.870	C5	C7	H9	108.783
C5	C7	C10	111.497	H6	C5	C7	116.909
C7	C10	H11	110.524	C7	C10	H12	111.045
C7	C10	H13	110.670	H8	C7	H9	107.148
H8	C7	C10	110.102	H9	C7	C10	109.330
H11	C10	H12	108.131	H11	C10	H13	108.291
H12	C10	H13	108.078

All results from a given calculation for C₅H₇N ((Z)-2-Pentenenitrile)

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

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 C5H7N ((Z)-2-Pentenenitrile)

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

States and conformations

All results from a given calculation for C₅H₇N ((Z)-2-Pentenenitrile)