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	hartrees
Energy at 0K	-248.304283
Energy at 298.15K	-248.310988
HF Energy	-247.728407
Nuclear repulsion energy	196.070823

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3212	3073	8.00
2	A	3168	3031	15.30
3	A	3154	3017	30.65
4	A	3147	3011	28.20
5	A	3099	2965	6.18
6	A	3061	2929	27.08
7	A	3050	2918	18.10
8	A	2095	2005	3.24
9	A	1677	1604	0.24
10	A	1576	1508	6.14
11	A	1572	1504	7.02
12	A	1559	1492	4.06
13	A	1485	1421	2.03
14	A	1457	1394	0.28
15	A	1402	1342	1.20
16	A	1339	1281	0.04
17	A	1308	1251	0.47
18	A	1186	1135	1.02
19	A	1135	1086	4.49
20	A	1048	1003	3.07
21	A	985	943	0.44
22	A	968	926	2.56
23	A	863	826	3.30
24	A	834	798	7.35
25	A	777	744	37.41
26	A	665	636	0.84
27	A	538	514	0.69
28	A	374	357	0.04
29	A	330	316	0.44
30	A	239	228	0.17
31	A	200	191	3.16
32	A	142	136	3.86
33	A	49	47	0.90

Atom	x (Å)	y (Å)	z (Å)
C1	-1.768	-0.104	-0.083
N2	-2.506	-1.052	-0.012
C3	-0.889	1.043	-0.174
H4	-1.352	1.972	-0.506
C5	0.434	1.000	0.133
H6	1.008	1.925	0.026
C7	1.208	-0.220	0.586
H8	0.519	-1.068	0.717
H9	1.657	-0.016	1.572
C10	2.329	-0.607	-0.416
H11	1.897	-0.861	-1.394
H12	3.035	0.223	-0.558
H13	2.890	-1.477	-0.049

	C1	N2	C3	H4	C5	H6	C7	H8	H9	C10	H11	H12	H13
C1		1.2036	1.4474	2.1595	2.4733	3.4403	3.0526	2.6070	3.8049	4.1408	3.9651	4.8373	4.8557
N2	1.2036		2.6510	3.2747	3.5889	4.6059	3.8529	3.1110	4.5729	4.8721	4.6189	5.7121	5.4125
C3	1.4474	2.6510		1.0900	1.3595	2.1021	2.5635	2.6889	3.2637	3.6247	3.5887	4.0275	4.5439
H4	2.1595	3.2747	1.0900		2.1312	2.4191	3.5428	3.7730	4.1620	4.4952	4.4012	4.7227	5.4859
C5	2.4733	3.5889	1.3595	2.1312		1.0935	1.5147	2.1511	2.1447	2.5446	2.8171	2.8007	3.4929
H6	3.4403	4.6059	2.1021	2.4191	1.0935		2.2265	3.1110	2.5655	2.8904	3.2513	2.7104	3.8890
C7	3.0526	3.8529	2.5635	3.5428	1.5147	2.2265		1.1009	1.1025	1.5526	2.1923	2.2005	2.1935
H8	2.6070	3.1110	2.6889	3.7730	2.1511	3.1110	1.1009		1.7703	2.1852	2.5299	3.1027	2.5254
H9	3.8049	4.5729	3.2637	4.1620	2.1447	2.5655	1.1025	1.7703		2.1808	3.0936	2.5481	2.5069
C10	4.1408	4.8721	3.6247	4.4952	2.5446	2.8904	1.5526	2.1852	2.1808		1.0984	1.0994	1.0983
H11	3.9651	4.6189	3.5887	4.4012	2.8171	3.2513	2.1923	2.5299	3.0936	1.0984		1.7807	1.7812
H12	4.8373	5.7121	4.0275	4.7227	2.8007	2.7104	2.2005	3.1027	2.5481	1.0994	1.7807		1.7810
H13	4.8557	5.4125	4.5439	5.4859	3.4929	3.8890	2.1935	2.5254	2.5069	1.0983	1.7812	1.7810

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H4	115.938	C1	C3	C5	123.529
N2	C1	C3	179.513	C3	C5	H6	117.544
C3	C5	C7	126.149	H4	C3	C5	120.532
C5	C7	H8	109.646	C5	C7	H9	109.050
C5	C7	C10	112.108	H6	C5	C7	116.295
C7	C10	H11	110.402	C7	C10	H12	110.989
C7	C10	H13	110.502	H8	C7	H9	106.924
H8	C7	C10	109.701	H9	C7	C10	109.271
H11	C10	H12	108.234	H11	C10	H13	108.359
H12	C10	H13	108.267

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)