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	hartrees
Energy at 0K	-196.622020
Energy at 298.15K	-196.632030
HF Energy	-196.622020
Nuclear repulsion energy	171.256613

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3133	3034	56.18
2	A	3109	3010	17.43
3	A	3101	3003	21.77
4	A	3093	2995	37.28
5	A	3088	2990	34.52
6	A	3062	2965	4.73
7	A	3052	2955	23.07
8	A	3022	2926	36.03
9	A	3012	2916	32.64
10	A	3001	2906	29.13
11	A	1720	1665	3.25
12	A	1516	1468	4.84
13	A	1508	1460	5.52
14	A	1503	1456	3.51
15	A	1493	1446	4.81
16	A	1489	1441	1.14
17	A	1442	1396	7.45
18	A	1412	1368	0.84
19	A	1407	1363	1.99
20	A	1333	1291	6.18
21	A	1299	1258	0.22
22	A	1279	1238	0.09
23	A	1173	1136	0.35
24	A	1090	1056	4.72
25	A	1063	1029	1.72
26	A	1043	1010	0.04
27	A	1026	994	3.08
28	A	1011	979	0.78
29	A	934	905	10.95
30	A	861	833	1.39
31	A	786	762	4.16
32	A	718	695	30.82
33	A	563	545	5.78
34	A	466	452	1.16
35	A	294	284	0.02
36	A	253	245	0.02
37	A	210	204	0.01
38	A	141	136	0.33
39	A	56	54	0.14

Atom	x (Å)	y (Å)	z (Å)
C1	2.182	-0.292	-0.413
H2	2.665	0.677	-0.561
H3	2.937	-0.991	-0.046
H4	1.835	-0.643	-1.387
C5	1.011	-0.179	0.575
H6	0.556	-1.160	0.721
H7	1.403	0.132	1.551
C8	-2.056	-0.681	-0.078
H9	-2.494	-0.925	-1.051
H10	-1.428	-1.518	0.230
H11	-2.885	-0.601	0.632
C12	-0.014	0.825	0.128
H13	0.366	1.839	0.015
C14	-1.301	0.614	-0.152
H15	-1.893	1.468	-0.473

	C1	H2	H3	H4	C5	H6	H7	C8	H9	H10	H11	C12	H13	C14	H15
C1		1.0929	1.0926	1.0920	1.5359	2.1639	2.1542	4.2683	4.7610	3.8656	5.1826	2.5219	2.8320	3.6074	4.4385
H2	1.0929		1.7670	1.7649	2.1810	3.0767	2.5193	4.9354	5.4236	4.7106	5.8186	2.7694	2.6389	3.9865	4.6260
H3	1.0926	1.7670		1.7702	2.1805	2.5075	2.4823	5.0024	5.5235	4.4052	5.8746	3.4692	3.8240	4.5325	5.4364
H4	1.0920	1.7649	1.7702		2.1782	2.5190	3.0686	4.1051	4.3510	3.7447	5.1338	2.8052	3.2068	3.5966	4.3804
C5	1.5359	2.1810	2.1805	2.1782		1.0920	1.0961	3.1756	3.9352	2.8038	3.9197	1.5027	2.1913	2.5497	3.4989
H6	2.1639	3.0767	2.5075	2.5190	1.0920		1.7541	2.7723	3.5344	2.0743	3.4871	2.1487	3.0872	2.7119	3.7851
H7	2.1542	2.5193	2.4823	3.0686	1.0961	1.7541		3.9086	4.8032	3.5327	4.4467	2.1242	2.5202	3.2315	4.0919
C8	4.2683	4.9354	5.0024	4.1051	3.1756	2.7723	3.9086		1.0944	1.0902	1.0945	2.5457	3.4963	1.5009	2.1914
H9	4.7610	5.4236	5.5235	4.3510	3.9352	3.5344	4.8032	1.0944		1.7685	1.7572	3.2561	4.1171	2.1443	2.5338
H10	3.8656	4.7106	4.4052	3.7447	2.8038	2.0743	3.5327	1.0902	1.7685		1.7680	2.7383	3.8120	2.1691	3.1024
H11	5.1826	5.8186	5.8746	5.1338	3.9197	3.4871	4.4467	1.0945	1.7572	1.7680		3.2455	4.1117	2.1452	2.5471
C12	2.5219	2.7694	3.4692	2.8052	1.5027	2.1487	2.1242	2.5457	3.2561	2.7383	3.2455		1.0887	1.3338	2.0748
H13	2.8320	2.6389	3.8240	3.2068	2.1913	3.0872	2.5202	3.4963	4.1171	3.8120	4.1117	1.0887		2.0751	2.3401
C14	3.6074	3.9865	4.5325	3.5966	2.5497	2.7119	3.2315	1.5009	2.1443	2.1691	2.1452	1.3338	2.0751		1.0878
H15	4.4385	4.6260	5.4364	4.3804	3.4989	3.7851	4.0919	2.1914	2.5338	3.1024	2.5471	2.0748	2.3401	1.0878

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C5	H6	109.706	C1	C5	H7	108.713
C1	C5	C12	112.189	H2	C1	H3	107.893
H2	C1	H4	107.751	H2	C1	C5	110.999
H3	C1	H4	108.250	H3	C1	C5	110.982
H4	C1	C5	110.834	C5	C12	H13	114.537
C5	C12	C14	127.935	H6	C5	H7	106.579
H6	C5	C12	110.824	H7	C5	C12	108.642
C8	C14	C12	127.713	C8	C14	H15	114.731
H9	C8	H10	108.098	H9	C8	H11	106.792
H9	C8	C14	110.451	H10	C8	H11	108.046
H10	C8	C14	112.720	H11	C8	C14	110.512
C12	C14	H15	117.556	H13	C12	C14	117.523

All results from a given calculation for C₅H₁₀ (2-Pentene, (Z)-)

using model chemistry: TPSSh/cc-pVTZ

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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Number	Element	Mulliken
1	C	-0.217
2	H	0.068
3	H	0.071
4	H	0.074
5	C	-0.083
6	H	0.060
7	H	0.067
8	C	-0.206
9	H	0.079
10	H	0.073
11	H	0.080
12	C	-0.120
13	H	0.080
14	C	-0.113
15	H	0.087

	x	y	z	Total
	-0.008	-0.256	0.064	0.264
CHELPG
AIM
ESP

	x	y	z
x	12.111	0.310	0.489
y	0.310	8.420	-0.119
z	0.489	-0.119	7.310

<r²>	165.260
(<r²>)^1/2	12.855

All results from a given calculation for C5H10 (2-Pentene, (Z)-)

using model chemistry: TPSSh/cc-pVTZ

States and conformations

All results from a given calculation for C₅H₁₀ (2-Pentene, (Z)-)