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	hartrees
Energy at 0K	-248.666347
Energy at 298.15K	-248.673190
HF Energy	-247.841923
Nuclear repulsion energy	198.758997

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3262	3062	2.51
2	A	3214	3017	10.29
3	A	3192	2996	23.08
4	A	3184	2989	24.43
5	A	3153	2959	1.75
6	A	3105	2915	23.05
7	A	3098	2908	13.27
8	A	2432	2283	6.77
9	A	1757	1649	3.85
10	A	1565	1469	7.27
11	A	1559	1463	7.05
12	A	1548	1453	3.33
13	A	1475	1384	2.48
14	A	1467	1377	0.12
15	A	1389	1304	1.61
16	A	1336	1254	0.05
17	A	1295	1215	0.39
18	A	1181	1108	0.78
19	A	1131	1061	4.03
20	A	1070	1005	2.91
21	A	994	933	0.63
22	A	990	929	3.75
23	A	891	836	3.49
24	A	829	778	5.01
25	A	772	725	38.85
26	A	675	633	1.82
27	A	562	528	0.32
28	A	401	376	0.34
29	A	368	346	0.02
30	A	248	233	0.49
31	A	215	202	3.44
32	A	151	141	4.89
33	A	54	51	1.05

Atom	x (Å)	y (Å)	z (Å)
C1	-1.747	-0.117	-0.082
N2	-2.451	-1.038	-0.021
C3	-0.887	1.036	-0.165
H4	-1.359	1.960	-0.484
C5	0.419	0.983	0.135
H6	0.992	1.904	0.038
C7	1.180	-0.234	0.572
H8	0.497	-1.084	0.676
H9	1.606	-0.042	1.565
C10	2.309	-0.579	-0.408
H11	1.904	-0.813	-1.397
H12	3.008	0.257	-0.516
H13	2.872	-1.448	-0.055

	C1	N2	C3	H4	C5	H6	C7	H8	H9	C10	H11	H12	H13
C1		1.1615	1.4410	2.1509	2.4389	3.4063	3.0015	2.5584	3.7364	4.0952	3.9423	4.7891	4.8069
N2	1.1615		2.6025	3.2248	3.5140	4.5300	3.7662	3.0300	4.4686	4.7978	4.5726	5.6322	5.3390
C3	1.4410	2.6025		1.0852	1.3411	2.0800	2.5360	2.6681	3.2207	3.5894	3.5675	3.9875	4.5071
H4	2.1509	3.2248	1.0852		2.1212	2.4093	3.5183	3.7492	4.1234	4.4618	4.3782	4.6873	5.4497
C5	2.4389	3.5140	1.3411	2.1212		1.0894	1.5008	2.1377	2.1226	2.5115	2.7889	2.7664	3.4586
H6	3.4063	4.5300	2.0800	2.4093	1.0894		2.2123	3.0951	2.5492	2.8461	3.2054	2.6614	3.8442
C7	3.0015	3.7662	2.5360	3.5183	1.5008	2.2123		1.0946	1.0976	1.5341	2.1759	2.1828	2.1743
H8	2.5584	3.0300	2.6681	3.7492	2.1377	3.0951	1.0946		1.7619	2.1705	2.5192	3.0852	2.5110
H9	3.7364	4.4686	3.2207	4.1234	2.1226	2.5492	1.0976	1.7619		2.1625	3.0751	2.5269	2.4905
C10	4.0952	4.7978	3.5894	4.4618	2.5115	2.8461	1.5341	2.1705	2.1625		1.0938	1.0949	1.0937
H11	3.9423	4.5726	3.5675	4.3782	2.7889	3.2054	2.1759	2.5192	3.0751	1.0938		1.7719	1.7723
H12	4.7891	5.6322	3.9875	4.6873	2.7664	2.6614	2.1828	3.0852	2.5269	1.0949	1.7719		1.7709
H13	4.8069	5.3390	4.5071	5.4497	3.4586	3.8442	2.1743	2.5110	2.4905	1.0937	1.7723	1.7709

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H4	116.018	C1	C3	C5	122.431
N2	C1	C3	179.262	C3	C5	H6	117.315
C3	C5	C7	126.254	H4	C3	C5	121.552
C5	C7	H8	109.917	C5	C7	H9	108.557
C5	C7	C10	111.692	H6	C5	C7	116.422
C7	C10	H11	110.667	C7	C10	H12	111.152
C7	C10	H13	110.550	H8	C7	H9	106.970
H8	C7	C10	110.189	H9	C7	C10	109.385
H11	C10	H12	108.108	H11	C10	H13	108.227
H12	C10	H13	108.029

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

using model chemistry: MP3/6-31G*

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: MP3/6-31G*

States and conformations

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