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	hartrees
Energy at 0K	-196.276487
Energy at 298.15K	-196.286323
HF Energy	-196.061413
Nuclear repulsion energy	174.152150

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3186	3024	44.60
2	A'	3174	3012	33.24
3	A'	3161	3001	9.28
4	A'	3156	2995	14.46
5	A'	3069	2913	13.11
6	A'	3065	2909	63.38
7	A'	3057	2902	25.51
8	A'	1767	1677	0.70
9	A'	1550	1471	9.91
10	A'	1549	1470	1.35
11	A'	1535	1457	1.28
12	A'	1472	1398	0.87
13	A'	1461	1387	0.58
14	A'	1458	1384	4.76
15	A'	1407	1335	3.84
16	A'	1264	1200	4.21
17	A'	1158	1099	7.79
18	A'	1093	1038	5.92
19	A'	993	942	1.50
20	A'	983	933	1.65
21	A'	783	743	1.57
22	A'	529	502	2.08
23	A'	387	367	0.32
24	A'	304	289	0.22
25	A"	3117	2958	29.28
26	A"	3114	2955	40.16
27	A"	3109	2951	11.76
28	A"	1541	1463	16.73
29	A"	1534	1456	0.88
30	A"	1522	1445	0.75
31	A"	1132	1075	0.16
32	A"	1086	1031	0.67
33	A"	1043	990	1.90
34	A"	839	797	11.48
35	A"	448	426	1.96
36	A"	265	252	1.34
37	A"	186	177	1.04
38	A"	143	136	0.14
39	A"	120	114	0.50

Atom	x (Å)	y (Å)	z (Å)
C1	-1.508	0.491	0.000
H2	-1.965	-0.500	0.000
H3	-1.876	1.033	0.880
H4	-1.876	1.033	-0.880
C5	0.274	-2.099	0.000
H6	0.656	-2.629	-0.880
H7	0.656	-2.629	0.880
H8	-0.813	-2.193	0.000
C9	0.741	-0.669	0.000
H10	1.825	-0.554	0.000
C11	0.000	0.450	0.000
C12	0.652	1.813	0.000
H13	1.743	1.739	0.000
H14	0.349	2.393	0.880
H15	0.349	2.393	-0.880

	C1	H2	H3	H4	C5	H6	H7	H8	C9	H10	C11	C12	H13	H14	H15
C1		1.0910	1.0963	1.0963	3.1446	3.8984	3.8984	2.7731	2.5313	3.4936	1.5091	2.5328	3.4825	2.8001	2.8001
H2	1.0910		1.7689	1.7689	2.7519	3.4899	3.4899	2.0482	2.7112	3.7904	2.1825	3.4924	4.3312	3.8073	3.8073
H3	1.0963	1.7689		1.7592	3.8995	4.7872	4.4522	3.5085	3.2435	4.1220	2.1525	2.7884	3.7908	2.6082	3.1462
H4	1.0963	1.7689	1.7592		3.8995	4.4522	4.7872	3.5085	3.2435	4.1220	2.1525	2.7884	3.7908	3.1462	2.6082
C5	3.1446	2.7519	3.8995	3.8995		1.0958	1.0958	1.0916	1.5038	2.1889	2.5641	3.9303	4.1096	4.5780	4.5780
H6	3.8984	3.4899	4.7872	4.4522	1.0958		1.7596	1.7671	2.1500	2.5392	3.2693	4.5286	4.5869	5.3305	5.0317
H7	3.8984	3.4899	4.4522	4.7872	1.0958	1.7596		1.7671	2.1500	2.5392	3.2693	4.5286	4.5869	5.0317	5.3305
H8	2.7731	2.0482	3.5085	3.5085	1.0916	1.7671	1.7671		2.1765	3.1060	2.7658	4.2658	4.6901	4.8123	4.8123
C9	2.5313	2.7112	3.2435	3.2435	1.5038	2.1500	2.1500	2.1765		1.0902	1.3427	2.4841	2.6088	3.2103	3.2103
H10	3.4936	3.7904	4.1220	4.1220	2.1889	2.5392	2.5392	3.1060	1.0902		2.0831	2.6418	2.2949	3.4115	3.4115
C11	1.5091	2.1825	2.1525	2.1525	2.5641	3.2693	3.2693	2.7658	1.3427	2.0831		1.5107	2.1676	2.1610	2.1610
C12	2.5328	3.4924	2.7884	2.7884	3.9303	4.5286	4.5286	4.2658	2.4841	2.6418	1.5107		1.0931	1.0966	1.0966
H13	3.4825	4.3312	3.7908	3.7908	4.1096	4.5869	4.5869	4.6901	2.6088	2.2949	2.1676	1.0931		1.7732	1.7732
H14	2.8001	3.8073	2.6082	3.1462	4.5780	5.3305	5.0317	4.8123	3.2103	3.4115	2.1610	1.0966	1.7732		1.7599
H15	2.8001	3.8073	3.1462	2.6082	4.5780	5.0317	5.3305	4.8123	3.2103	3.4115	2.1610	1.0966	1.7732	1.7599

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C11	C9	125.051	C1	C11	C12	114.014
H2	C1	H3	107.940	H2	C1	H4	107.940
H2	C1	C11	113.175	H3	C1	H4	106.709
H3	C1	C11	110.412	H4	C1	C11	110.412
C5	C9	H10	114.148	C5	C9	C11	128.434
H6	C5	H7	106.808	H6	C5	H8	107.771
H6	C5	C9	110.607	H7	C5	H8	107.771
H7	C5	C9	110.607	H8	C5	C9	113.022
C9	C11	C12	120.936	H10	C9	C11	117.419
C11	C12	H13	111.704	C11	C12	H14	110.962
C11	C12	H15	110.962	H13	C12	H14	108.146
H13	C12	H15	108.146	H14	C12	H15	106.729

All results from a given calculation for C₅H₁₀ (2-Butene, 2-methyl-)

using model chemistry: B2PLYP/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
1	C	-0.515
2	H	0.162
3	H	0.158
4	H	0.158
5	C	-0.500
6	H	0.160
7	H	0.160
8	H	0.159
9	C	-0.177
10	H	0.135
11	C	0.139
12	C	-0.508
13	H	0.159
14	H	0.155
15	H	0.155

	x	y	z
x	8.007	-1.036	0.000
y	-1.036	10.100	0.000
z	0.000	0.000	5.651

<r²>	151.313
(<r²>)^1/2	12.301

All results from a given calculation for C5H10 (2-Butene, 2-methyl-)

using model chemistry: B2PLYP/6-31G*

States and conformations

All results from a given calculation for C₅H₁₀ (2-Butene, 2-methyl-)