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	hartrees
Energy at 0K	-248.824497
Energy at 298.15K	-248.831340
HF Energy	-247.865873
Nuclear repulsion energy	199.465891

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3258	3077	1.71
2	A	3213	3035	6.86
3	A	3209	3031	13.42
4	A	3203	3025	11.31
5	A	3166	2990	1.18
6	A	3109	2936	18.40
7	A	3104	2931	6.82
8	A	2198	2076	0.29
9	A	1690	1596	3.16
10	A	1535	1449	5.37
11	A	1528	1444	6.33
12	A	1508	1424	4.19
13	A	1433	1354	1.63
14	A	1421	1342	0.39
15	A	1346	1271	1.25
16	A	1310	1237	0.04
17	A	1261	1191	0.28
18	A	1149	1086	0.75
19	A	1104	1043	3.87
20	A	1053	994	2.85
21	A	1004	948	0.48
22	A	969	915	3.59
23	A	880	832	3.83
24	A	815	770	5.02
25	A	779	736	30.91
26	A	664	627	1.96
27	A	573	541	0.63
28	A	395	373	0.46
29	A	369	349	0.06
30	A	248	234	0.37
31	A	214	202	3.61
32	A	150	141	4.58
33	A	54	51	1.06

Atom	x (Å)	y (Å)	z (Å)
C1	-1.719	-0.108	-0.083
N2	-2.419	-1.050	-0.006
C3	-0.875	1.039	-0.181
H4	-1.341	1.954	-0.526
C5	0.429	0.998	0.137
H6	1.000	1.916	0.027
C7	1.175	-0.212	0.594
H8	0.481	-1.041	0.753
H9	1.649	0.006	1.556
C10	2.252	-0.609	-0.422
H11	1.800	-0.867	-1.380
H12	2.955	0.210	-0.589
H13	2.817	-1.472	-0.067

	C1	N2	C3	H4	C5	H6	C7	H8	H9	C10	H11	H12	H13
C1		1.1764	1.4267	2.1420	2.4254	3.3910	2.9733	2.5321	3.7471	4.0167	3.8258	4.7115	4.7365
N2	1.1764		2.6031	3.2332	3.5104	4.5262	3.7382	2.9980	4.4835	4.7101	4.4402	5.5499	5.2532
C3	1.4267	2.6031		1.0828	1.3430	2.0806	2.5233	2.6533	3.2334	3.5432	3.4966	3.9401	4.4665
H4	2.1420	3.2332	1.0828		2.1177	2.4052	3.5031	3.7317	4.1310	4.4143	4.3068	4.6366	5.4065
C5	2.4254	3.5104	1.3430	2.1177		1.0871	1.4929	2.1308	2.1180	2.4936	2.7673	2.7438	3.4413
H6	3.3910	4.5262	2.0806	2.4052	1.0871		2.2096	3.0893	2.5317	2.8540	3.2195	2.6670	3.8455
C7	2.9733	3.7382	2.5233	3.5031	1.4929	2.2096		1.0923	1.0945	1.5335	2.1721	2.1788	2.1729
H8	2.5321	2.9980	2.6533	3.7317	2.1308	3.0893	1.0923		1.7619	2.1688	2.5138	3.0796	2.5127
H9	3.7471	4.4835	3.2334	4.1310	2.1180	2.5317	1.0945	1.7619		2.1576	3.0671	2.5197	2.4866
C10	4.0167	4.7101	3.5432	4.4143	2.4936	2.8540	1.5335	2.1688	2.1576		1.0907	1.0916	1.0906
H11	3.8258	4.4402	3.4966	4.3068	2.7673	3.2195	2.1721	2.5138	3.0671	1.0907		1.7664	1.7678
H12	4.7115	5.5499	3.9401	4.6366	2.7438	2.6670	2.1788	3.0796	2.5197	1.0916	1.7664		1.7657
H13	4.7365	5.2532	4.4665	5.4065	3.4413	3.8455	2.1729	2.5127	2.4866	1.0906	1.7678	1.7657

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H4	116.528	C1	C3	C5	122.227
N2	C1	C3	179.675	C3	C5	H6	117.399
C3	C5	C7	125.612	H4	C3	C5	121.245
C5	C7	H8	110.053	C5	C7	H9	108.911
C5	C7	C10	110.957	H6	C5	C7	116.966
C7	C10	H11	110.599	C7	C10	H12	111.085
C7	C10	H13	110.672	H8	C7	H9	107.354
H8	C7	C10	110.243	H9	C7	C10	109.237
H11	C10	H12	108.079	H11	C10	H13	108.276
H12	C10	H13	108.023

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

using model chemistry: MP2/6-31G(2df,p)

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(2df,p)

States and conformations

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