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	hartrees
Energy at 0K	-248.939077
Energy at 298.15K	-248.945873
HF Energy	-247.932810
Nuclear repulsion energy	199.899743

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3239	3082	1.80
2	A	3193	3038	6.42
3	A	3175	3021	17.40
4	A	3169	3016	16.73
5	A	3138	2986	0.55
6	A	3083	2933	16.71
7	A	3079	2930	14.65
8	A	2185	2079	0.23
9	A	1681	1600	3.33
10	A	1519	1445	6.20
11	A	1514	1440	7.01
12	A	1495	1422	4.45
13	A	1427	1358	1.58
14	A	1412	1343	1.26
15	A	1338	1273	1.04
16	A	1304	1241	0.04
17	A	1255	1194	0.34
18	A	1146	1090	0.42
19	A	1097	1044	4.14
20	A	1046	995	3.26
21	A	994	946	0.29
22	A	966	919	3.43
23	A	878	835	3.59
24	A	811	772	4.85
25	A	768	731	36.40
26	A	660	628	1.31
27	A	567	540	0.85
28	A	389	370	0.40
29	A	363	345	0.13
30	A	244	232	0.27
31	A	212	202	3.55
32	A	148	141	4.47
33	A	49	47	1.07

Atom	x (Å)	y (Å)	z (Å)
C1	-1.726	-0.111	-0.080
N2	-2.452	-1.031	-0.023
C3	-0.878	1.035	-0.163
H4	-1.340	1.957	-0.486
C5	0.428	0.980	0.136
H6	1.001	1.896	0.035
C7	1.167	-0.239	0.569
H8	0.477	-1.077	0.662
H9	1.590	-0.056	1.560
C10	2.293	-0.582	-0.406
H11	1.892	-0.803	-1.393
H12	2.992	0.248	-0.503
H13	2.848	-1.451	-0.059

	C1	N2	C3	H4	C5	H6	C7	H8	H9	C10	H11	H12	H13
C1		1.1738	1.4279	2.1423	2.4244	3.3873	2.9676	2.5173	3.6995	4.0600	3.9108	4.7507	4.7664
N2	1.1738		2.6013	3.2218	3.5168	4.5269	3.7520	3.0085	4.4491	4.7823	4.5610	5.6134	5.3171
C3	1.4279	2.6013		1.0804	1.3413	2.0759	2.5180	2.6416	3.2016	3.5678	3.5446	3.9639	4.4804
H4	2.1423	3.2218	1.0804		2.1135	2.3983	3.4953	3.7180	4.1012	4.4328	4.3457	4.6567	5.4160
C5	2.4244	3.5168	1.3413	2.1135		1.0845	1.4894	2.1240	2.1093	2.4923	2.7680	2.7419	3.4358
H6	3.3873	4.5269	2.0759	2.3983	1.0845		2.2065	3.0832	2.5460	2.8290	3.1811	2.6402	3.8241
C7	2.9676	3.7520	2.5180	3.4953	1.4894	2.2065		1.0900	1.0922	1.5288	2.1666	2.1721	2.1660
H8	2.5173	3.0085	2.6416	3.7180	2.1240	3.0832	1.0900		1.7571	2.1646	2.5099	3.0726	2.5065
H9	3.6995	4.4491	3.2016	4.1012	2.1093	2.5460	1.0922	1.7571		2.1525	3.0603	2.5126	2.4798
C10	4.0600	4.7823	3.5678	4.4328	2.4923	2.8290	1.5288	2.1646	2.1525		1.0883	1.0891	1.0880
H11	3.9108	4.5610	3.5446	4.3457	2.7680	3.1811	2.1666	2.5099	3.0603	1.0883		1.7628	1.7638
H12	4.7507	5.6134	3.9639	4.6567	2.7419	2.6402	2.1721	3.0726	2.5126	1.0891	1.7628		1.7621
H13	4.7664	5.3171	4.4804	5.4160	3.4358	3.8241	2.1660	2.5065	2.4798	1.0880	1.7638	1.7621

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H4	116.638	C1	C3	C5	122.176
N2	C1	C3	178.138	C3	C5	H6	117.292
C3	C5	C7	125.546	H4	C3	C5	121.185
C5	C7	H8	109.894	C5	C7	H9	108.602
C5	C7	C10	111.323	H6	C5	C7	117.149
C7	C10	H11	110.636	C7	C10	H12	111.025
C7	C10	H13	110.603	H8	C7	H9	107.254
H8	C7	C10	110.372	H9	C7	C10	109.288
H11	C10	H12	108.113	H11	C10	H13	108.289
H12	C10	H13	108.073

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

using model chemistry: MP2/Def2TZVPP

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/Def2TZVPP

States and conformations

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