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	hartrees
Energy at 0K	-248.692095
Energy at 298.15K	-248.698886
HF Energy	-247.856346
Nuclear repulsion energy	197.728076

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3245	3091	2.39
2	A	3198	3046	9.34
3	A	3189	3038	19.05
4	A	3183	3031	18.00
5	A	3149	2999	1.72
6	A	3084	2938	11.35
7	A	3084	2937	27.18
8	A	2174	2071	1.62
9	A	1693	1613	1.54
10	A	1503	1432	5.46
11	A	1496	1425	6.66
12	A	1479	1409	3.51
13	A	1417	1349	0.73
14	A	1406	1339	0.76
15	A	1332	1269	2.34
16	A	1296	1235	0.01
17	A	1247	1188	0.33
18	A	1139	1085	0.60
19	A	1097	1045	3.57
20	A	1055	1005	2.95
21	A	982	936	0.35
22	A	966	920	3.32
23	A	879	837	3.42
24	A	808	770	4.41
25	A	762	726	33.69
26	A	657	625	1.20
27	A	558	531	0.74
28	A	386	368	0.17
29	A	359	342	0.12
30	A	249	237	0.16
31	A	211	201	2.93
32	A	147	140	3.76
33	A	53	51	0.88

Atom	x (Å)	y (Å)	z (Å)
C1	-1.738	-0.107	-0.083
N2	-2.449	-1.056	-0.007
C3	-0.881	1.048	-0.179
H4	-1.348	1.977	-0.520
C5	0.437	1.003	0.136
H6	1.010	1.933	0.025
C7	1.187	-0.216	0.590
H8	0.486	-1.053	0.745
H9	1.658	0.003	1.566
C10	2.275	-0.614	-0.420
H11	1.827	-0.872	-1.393
H12	2.988	0.213	-0.580
H13	2.843	-1.487	-0.058

	C1	N2	C3	H4	C5	H6	C7	H8	H9	C10	H11	H12	H13
C1		1.1882	1.4412	2.1652	2.4513	3.4246	3.0032	2.5544	3.7765	4.0592	3.8738	4.7631	4.7840
N2	1.1882		2.6294	3.2675	3.5478	4.5721	3.7794	3.0298	4.5235	4.7632	4.4984	5.6129	5.3097
C3	1.4412	2.6294		1.0944	1.3557	2.0985	2.5424	2.6712	3.2532	3.5753	3.5344	3.9788	4.5062
H4	2.1652	3.2675	1.0944		2.1361	2.4204	3.5303	3.7607	4.1571	4.4551	4.3538	4.6813	5.4562
C5	2.4513	3.5478	1.3557	2.1361		1.0987	1.5010	2.1446	2.1301	2.5103	2.7898	2.7652	3.4675
H6	3.4246	4.5721	2.0985	2.4204	1.0987		2.2288	3.1162	2.5537	2.8784	3.2477	2.6903	3.8808
C7	3.0032	3.7794	2.5424	3.5303	1.5010	2.2288		1.1032	1.1058	1.5370	2.1843	2.1904	2.1857
H8	2.5544	3.0298	2.6712	3.7607	2.1446	3.1162	1.1032		1.7782	2.1801	2.5301	3.1020	2.5277
H9	3.7765	4.5235	3.2532	4.1571	2.1301	2.5537	1.1058	1.7782		2.1694	3.0905	2.5346	2.5025
C10	4.0592	4.7632	3.5753	4.4551	2.5103	2.8784	1.5370	2.1801	2.1694		1.1024	1.1034	1.1021
H11	3.8738	4.4984	3.5344	4.3538	2.7898	3.2477	2.1843	2.5301	3.0905	1.1024		1.7853	1.7865
H12	4.7631	5.6129	3.9788	4.6813	2.7652	2.6903	2.1904	3.1020	2.5346	1.1034	1.7853		1.7841
H13	4.7840	5.3097	4.5062	5.4562	3.4675	3.8808	2.1857	2.5277	2.5025	1.1021	1.7865	1.7841

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H4	116.616	C1	C3	C5	122.401
N2	C1	C3	179.675	C3	C5	H6	117.129
C3	C5	C7	125.664	H4	C3	C5	120.983
C5	C7	H8	109.937	C5	C7	H9	108.645
C5	C7	C10	111.432	H6	C5	C7	117.190
C7	C10	H11	110.619	C7	C10	H12	111.047
C7	C10	H13	110.750	H8	C7	H9	107.218
H8	C7	C10	110.244	H9	C7	C10	109.255
H11	C10	H12	108.066	H11	C10	H13	108.264
H12	C10	H13	107.985

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

using model chemistry: MP2/cc-pVDZ

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/cc-pVDZ

States and conformations

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