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	hartrees
Energy at 0K	-196.465317
Energy at 298.15K	-196.475343
Nuclear repulsion energy	170.927565

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3166	3029	63.78
2	A	3149	3012	10.16
3	A	3139	3003	39.57
4	A	3136	3001	20.44
5	A	3130	2994	24.71
6	A	3100	2966	7.29
7	A	3095	2961	22.91
8	A	3055	2923	33.31
9	A	3044	2912	30.38
10	A	3034	2902	31.27
11	A	1759	1683	2.14
12	A	1532	1466	6.36
13	A	1523	1457	6.80
14	A	1520	1454	3.99
15	A	1508	1443	6.19
16	A	1505	1439	0.99
17	A	1456	1393	7.72
18	A	1430	1368	1.55
19	A	1425	1364	1.90
20	A	1348	1290	7.00
21	A	1314	1257	0.26
22	A	1290	1234	0.30
23	A	1182	1131	0.84
24	A	1102	1055	3.64
25	A	1070	1024	0.36
26	A	1059	1013	0.14
27	A	1049	1004	3.39
28	A	1012	969	0.27
29	A	953	912	11.78
30	A	877	839	1.81
31	A	798	764	3.53
32	A	725	693	32.02
33	A	571	547	7.14
34	A	471	451	1.42
35	A	304	290	0.02
36	A	258	247	0.02
37	A	219	210	0.01
38	A	143	137	0.37
39	A	57	54	0.15

Atom	x (Å)	y (Å)	z (Å)
C1	2.196	-0.279	-0.409
H2	2.681	0.697	-0.528
H3	2.953	-0.987	-0.053
H4	1.863	-0.606	-1.400
C5	1.015	-0.195	0.565
H6	0.565	-1.187	0.683
H7	1.397	0.087	1.558
C8	-2.073	-0.671	-0.085
H9	-2.528	-0.897	-1.058
H10	-1.455	-1.526	0.203
H11	-2.899	-0.598	0.636
C12	-0.010	0.814	0.135
H13	0.372	1.832	0.031
C14	-1.304	0.614	-0.144
H15	-1.888	1.484	-0.450

	C1	H2	H3	H4	C5	H6	H7	C8	H9	H10	H11	C12	H13	C14	H15
C1		1.0967	1.0960	1.0956	1.5333	2.1628	2.1548	4.2991	4.8082	3.9063	5.2107	2.5214	2.8241	3.6215	4.4482
H2	1.0967		1.7708	1.7687	2.1833	3.0814	2.5248	4.9667	5.4733	4.7523	5.8455	2.7741	2.6327	4.0040	4.6368
H3	1.0960	1.7708		1.7746	2.1830	2.5071	2.4840	5.0363	5.5733	4.4486	5.9054	3.4727	3.8228	4.5489	5.4495
H4	1.0956	1.7687	1.7746		2.1801	2.5229	3.0744	4.1508	4.4140	3.7983	5.1793	2.8077	3.1961	3.6190	4.3978
C5	1.5333	2.1833	2.1830	2.1801		1.0957	1.1006	3.1915	3.9603	2.8295	3.9355	1.5015	2.1925	2.5563	3.5038
H6	2.1628	3.0814	2.5071	2.5229	1.0957		1.7551	2.7957	3.5615	2.1042	3.5140	2.1529	3.0944	2.7240	3.7990
H7	2.1548	2.5248	2.4840	3.0744	1.1006	1.7551		3.9135	4.8189	3.5462	4.4472	2.1296	2.5356	3.2356	4.0958
C8	4.2991	4.9667	5.0363	4.1508	3.1915	2.7957	3.9135		1.0983	1.0935	1.0985	2.5511	3.5005	1.4989	2.1926
H9	4.8082	5.4733	5.5733	4.4140	3.9603	3.5615	4.8189	1.0983		1.7707	1.7599	3.2699	4.1285	2.1496	2.5393
H10	3.9063	4.7523	4.4486	3.7983	2.8295	2.1042	3.5462	1.0935	1.7707		1.7699	2.7510	3.8265	2.1733	3.1095
H11	5.2107	5.8455	5.9054	5.1793	3.9355	3.5140	4.4472	1.0985	1.7599	1.7699		3.2545	4.1196	2.1503	2.5564
C12	2.5214	2.7741	3.4727	2.8077	1.5015	2.1529	2.1296	2.5511	3.2699	2.7510	3.2545		1.0921	1.3381	2.0776
H13	2.8241	2.6327	3.8228	3.1961	2.1925	3.0944	2.5356	3.5005	4.1285	3.8265	4.1196	1.0921		2.0785	2.3367
C14	3.6215	4.0040	4.5489	3.6190	2.5563	2.7240	3.2356	1.4989	2.1496	2.1733	2.1503	1.3381	2.0785		1.0912
H15	4.4482	4.6368	5.4495	4.3978	3.5038	3.7990	4.0958	2.1926	2.5393	3.1095	2.5564	2.0776	2.3367	1.0912

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C5	H6	109.581	C1	C5	H7	108.679
C1	C5	C12	112.360	H2	C1	H3	107.725
H2	C1	H4	107.568	H2	C1	C5	111.146
H3	C1	H4	108.135	H3	C1	C5	111.155
H4	C1	C5	110.956	C5	C12	H13	114.496
C5	C12	C14	128.278	H6	C5	H7	106.096
H6	C5	C12	111.019	H7	C5	C12	108.882
C8	C14	C12	128.021	C8	C14	H15	114.767
H9	C8	H10	107.779	H9	C8	H11	106.474
H9	C8	C14	110.779	H10	C8	H11	107.696
H10	C8	C14	113.008	H11	C8	C14	110.821
C12	C14	H15	117.211	H13	C12	C14	117.221

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

using model chemistry: B3PW91/6-31G*

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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Number	Element	Mulliken	ESP
1	C	-0.506	-0.380
2	H	0.166	0.094
3	H	0.166	0.070
4	H	0.174	0.106
5	C	-0.356	0.380
6	H	0.165	-0.036
7	H	0.170	-0.029
8	C	-0.556	-0.241
9	H	0.178	0.083
10	H	0.175	0.094
11	H	0.179	0.077
12	C	-0.116	-0.450
13	H	0.145	0.160
14	C	-0.131	-0.023
15	H	0.148	0.093

	x	y	z	Total
	-0.024	-0.194	0.035	0.199
CHELPG
AIM
ESP	-0.041	-0.220	0.019	0.225

	x	y	z
x	0.000	0.000	0.000
y	0.000	0.000	0.000
z	0.000	0.000	0.000

<r²>	165.637
(<r²>)^1/2	12.870

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

using model chemistry: B3PW91/6-31G*

States and conformations

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