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	hartrees
Energy at 0K	-195.177248
Energy at 298.15K	-195.187576
Nuclear repulsion energy	171.605332

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3306	2990	80.87
2	A	3277	2964	28.21
3	A	3272	2959	32.61
4	A	3245	2934	57.94
5	A	3237	2927	62.91
6	A	3222	2914	13.90
7	A	3213	2906	44.18
8	A	3177	2873	7.56
9	A	3175	2871	79.04
10	A	3169	2866	48.94
11	A	1883	1703	2.07
12	A	1641	1484	6.75
13	A	1631	1475	5.76
14	A	1629	1473	2.99
15	A	1621	1466	5.77
16	A	1618	1463	3.04
17	A	1574	1423	3.50
18	A	1546	1398	1.96
19	A	1540	1392	2.27
20	A	1464	1324	10.70
21	A	1413	1278	0.03
22	A	1390	1257	0.13
23	A	1271	1149	0.12
24	A	1192	1078	5.31
25	A	1173	1061	4.26
26	A	1139	1030	0.02
27	A	1118	1011	0.66
28	A	1091	986	2.13
29	A	994	899	7.42
30	A	916	828	1.20
31	A	855	773	6.88
32	A	786	711	35.02
33	A	606	548	4.98
34	A	511	462	1.20
35	A	323	292	0.03
36	A	282	255	0.04
37	A	235	212	0.02
38	A	129	117	0.23
39	A	57	52	0.08

Atom	x (Å)	y (Å)	z (Å)
C1	2.182	-0.294	-0.414
H2	2.661	0.666	-0.578
H3	2.939	-0.981	-0.048
H4	1.835	-0.657	-1.376
C5	1.022	-0.174	0.579
H6	0.584	-1.151	0.745
H7	1.413	0.151	1.541
C8	-2.069	-0.676	-0.077
H9	-2.512	-0.907	-1.042
H10	-1.465	-1.523	0.220
H11	-2.888	-0.587	0.631
C12	-0.017	0.818	0.124
H13	0.352	1.826	0.005
C14	-1.293	0.610	-0.150
H15	-1.872	1.464	-0.468

	C1	H2	H3	H4	C5	H6	H7	C8	H9	H10	H11	C12	H13	C14	H15
C1		1.0858	1.0854	1.0850	1.5315	2.1512	2.1467	4.2810	4.7748	3.9002	5.1843	2.5215	2.8318	3.5999	4.4185
H2	1.0858		1.7523	1.7520	2.1752	3.0600	2.5119	4.9421	5.4265	4.7385	5.8155	2.7720	2.6488	3.9772	4.6035
H3	1.0854	1.7523		1.7562	2.1725	2.4903	2.4766	5.0169	5.5407	4.4452	5.8792	3.4640	3.8176	4.5219	5.4123
H4	1.0850	1.7520	1.7562		2.1715	2.5110	3.0555	4.1145	4.3670	3.7670	5.1324	2.8022	3.2050	3.5906	4.3661
C5	1.5315	2.1752	2.1725	2.1715		1.0830	1.0882	3.1989	3.9557	2.8515	3.9313	1.5063	2.1862	2.5500	3.4857
H6	2.1512	3.0600	2.4903	2.5110	1.0830		1.7366	2.8177	3.5828	2.1479	3.5193	2.1501	3.0766	2.7250	3.7868
H7	2.1467	2.5119	2.4766	3.0555	1.0882	1.7366		3.9275	4.8160	3.5818	4.4573	2.1205	2.5082	3.2235	4.0680
C8	4.2810	4.9421	5.0169	4.1145	3.1989	2.8177	3.9275		1.0865	1.0814	1.0866	2.5465	3.4829	1.5042	2.1846
H9	4.7748	5.4265	5.5407	4.3670	3.9557	3.5828	4.8160	1.0865		1.7516	1.7449	3.2495	4.0948	2.1408	2.5218
H10	3.9002	4.7385	4.4452	3.7670	2.8515	2.1479	3.5818	1.0814	1.7516		1.7518	2.7543	3.8165	2.1717	3.0918
H11	5.1843	5.8155	5.8792	5.1324	3.9313	3.5193	4.4573	1.0866	1.7449	1.7518		3.2364	4.0881	2.1419	2.5392
C12	2.5215	2.7720	3.4640	2.8022	1.5063	2.1501	2.1205	2.5465	3.2495	2.7543	3.2364		1.0803	1.3216	2.0516
H13	2.8318	2.6488	3.8176	3.2050	2.1862	3.0766	2.5082	3.4829	4.0948	3.8165	4.0881	1.0803		2.0515	2.3022
C14	3.5999	3.9772	4.5219	3.5906	2.5500	2.7250	3.2235	1.5042	2.1408	2.1717	2.1419	1.3216	2.0515		1.0794
H15	4.4185	4.6035	5.4123	4.3661	3.4857	3.7868	4.0680	2.1846	2.5218	3.0918	2.5392	2.0516	2.3022	1.0794

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C5	H6	109.537	C1	C5	H7	108.880
C1	C5	C12	112.203	H2	C1	H3	107.618
H2	C1	H4	107.623	H2	C1	C5	111.279
H3	C1	H4	108.031	H3	C1	C5	111.091
H4	C1	C5	111.036	C5	C12	H13	114.384
C5	C12	C14	128.652	H6	C5	H7	106.228
H6	C5	C12	111.224	H7	C5	C12	108.560
C8	C14	C12	128.503	C8	C14	H15	114.457
H9	C8	H10	107.795	H9	C8	H11	106.832
H9	C8	C14	110.409	H10	C8	H11	107.807
H10	C8	C14	113.251	H11	C8	C14	110.491
C12	C14	H15	117.041	H13	C12	C14	116.963

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

using model chemistry: HF/6-311G*

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	CHELPG	ESP
1	C	-0.603	-0.211	-0.379
2	H	0.202	0.045	0.089
3	H	0.207	0.020	0.057
4	H	0.210	0.035	0.100
5	C	-0.447	0.502	0.516
6	H	0.212	-0.076	-0.064
7	H	0.213	-0.099	-0.064
8	C	-0.643	0.073	-0.165
9	H	0.215	0.001	0.063
10	H	0.217	0.012	0.080
11	H	0.216	-0.006	0.055
12	C	-0.206	-0.404	-0.550
13	H	0.202	0.137	0.189
14	C	-0.196	-0.132	-0.033
15	H	0.201	0.102	0.105

	x	y	z	Total
	-0.023	-0.197	0.056	0.206
CHELPG
AIM
ESP	-0.044	-0.231	0.035	0.237

	x	y	z
x	10.825	0.369	0.620
y	0.369	7.311	-0.106
z	0.620	-0.106	6.367

<r²>	165.383
(<r²>)^1/2	12.860

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

using model chemistry: HF/6-311G*

States and conformations

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