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	hartrees
Energy at 0K	-248.836506
Energy at 298.15K	-248.843324
HF Energy	-247.886602
Nuclear repulsion energy	199.160547

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3233	3062	2.97
2	A	3190	3022	11.58
3	A	3180	3012	21.83
4	A	3173	3006	20.37
5	A	3144	2978	1.04
6	A	3086	2923	18.63
7	A	3083	2920	19.90
8	A	2189	2073	0.78
9	A	1691	1602	2.57
10	A	1544	1462	10.89
11	A	1540	1458	9.85
12	A	1526	1446	4.57
13	A	1449	1372	4.70
14	A	1434	1359	0.17
15	A	1361	1289	0.56
16	A	1322	1252	0.01
17	A	1272	1204	0.40
18	A	1162	1100	0.86
19	A	1111	1053	5.42
20	A	1057	1001	3.12
21	A	974	922	3.66
22	A	967	916	0.52
23	A	882	836	3.51
24	A	820	777	5.60
25	A	764	723	45.26
26	A	664	629	1.54
27	A	567	537	0.96
28	A	395	374	0.20
29	A	370	351	0.32
30	A	244	231	0.21
31	A	212	201	3.34
32	A	151	143	4.04
33	A	50	47	1.00

Atom	x (Å)	y (Å)	z (Å)
C1	-1.719	-0.112	-0.082
N2	-2.418	-1.054	0.002
C3	-0.875	1.039	-0.189
H4	-1.342	1.953	-0.544
C5	0.432	1.007	0.133
H6	0.998	1.930	0.014
C7	1.187	-0.195	0.602
H8	0.495	-1.018	0.801
H9	1.682	0.047	1.549
C10	2.238	-0.626	-0.427
H11	1.761	-0.914	-1.366
H12	2.941	0.184	-0.637
H13	2.811	-1.481	-0.060

	C1	N2	C3	H4	C5	H6	C7	H8	H9	C10	H11	H12	H13
C1		1.1762	1.4314	2.1490	2.4343	3.4003	2.9870	2.5510	3.7759	4.0060	3.7951	4.7028	4.7325
N2	1.1762		2.6075	3.2403	3.5193	4.5358	3.7537	3.0207	4.5183	4.6952	4.3987	5.5369	5.2458
C3	1.4314	2.6075		1.0855	1.3468	2.0841	2.5305	2.6634	3.2477	3.5390	3.4851	3.9365	4.4669
H4	2.1490	3.2403	1.0855		2.1215	2.4056	3.5106	3.7435	4.1424	4.4140	4.3031	4.6348	5.4100
C5	2.4343	3.5193	1.3468	2.1215		1.0896	1.4949	2.1334	2.1187	2.4985	2.7747	2.7505	3.4471
H6	3.4003	4.5358	2.0841	2.4056	1.0896		2.2134	3.0929	2.5240	2.8753	3.2514	2.6923	3.8634
C7	2.9870	3.7537	2.5305	3.5106	1.4949	2.2134		1.0934	1.0960	1.5328	2.1718	2.1808	2.1740
H8	2.5510	3.0207	2.6634	3.7435	2.1334	3.0929	1.0934		1.7618	2.1678	2.5111	3.0814	2.5128
H9	3.7759	4.5183	3.2477	4.1424	2.1187	2.5240	1.0960	1.7618		2.1603	3.0700	2.5264	2.4892
C10	4.0060	4.6952	3.5390	4.4140	2.4985	2.8753	1.5328	2.1678	2.1603		1.0918	1.0928	1.0922
H11	3.7951	4.3987	3.4851	4.3031	2.7747	3.2514	2.1718	2.5111	3.0700	1.0918		1.7689	1.7691
H12	4.7028	5.5369	3.9365	4.6348	2.7505	2.6923	2.1808	3.0814	2.5264	1.0928	1.7689		1.7670
H13	4.7325	5.2458	4.4669	5.4100	3.4471	3.8634	2.1740	2.5128	2.4892	1.0922	1.7691	1.7670

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H4	116.590	C1	C3	C5	122.348
N2	C1	C3	179.679	C3	C5	H6	117.220
C3	C5	C7	125.786	H4	C3	C5	121.062
C5	C7	H8	110.058	C5	C7	H9	108.748
C5	C7	C10	111.211	H6	C5	C7	116.968
C7	C10	H11	110.551	C7	C10	H12	111.212
C7	C10	H13	110.707	H8	C7	H9	107.170
H8	C7	C10	110.145	H9	C7	C10	109.408
H11	C10	H12	108.128	H11	C10	H13	108.192
H12	C10	H13	107.939

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

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 C5H7N ((Z)-2-Pentenenitrile)

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

States and conformations

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