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	hartrees
Energy at 0K	-195.346563
Energy at 298.15K	-195.356473
Nuclear repulsion energy	174.435216

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3177	3040	37.39
2	A	3163	3026	17.78
3	A	3148	3011	7.05
4	A	3141	3005	13.81
5	A	3055	2923	8.79
6	A	3051	2919	47.06
7	A	3043	2912	20.85
8	A	1768	1692	0.77
9	A	1564	1496	14.06
10	A	1552	1485	5.84
11	A	1540	1473	2.55
12	A	1470	1406	5.57
13	A	1453	1390	6.52
14	A	1441	1379	9.34
15	A	1410	1349	2.85
16	A	1247	1193	5.65
17	A	1150	1100	10.63
18	A	1094	1047	10.83
19	A	993	950	2.04
20	A	971	928	2.96
21	A	774	740	2.26
22	A	532	509	2.70
23	A	381	365	0.42
24	A	318	305	0.29
25	A	3102	2967	49.12
26	A	3101	2966	3.97
27	A	3097	2963	7.14
28	A	1554	1487	28.13
29	A	1549	1482	0.96
30	A	1533	1467	1.64
31	A	1136	1087	3.38
32	A	1097	1049	0.01
33	A	1049	1003	2.71
34	A	846	810	18.72
35	A	443	424	4.38
36	A	261	250	2.32
37	A	186	178	1.60
38	A	161	154	0.07
39	A	124	119	1.10

Atom	x (Å)	y (Å)	z (Å)
C1	-1.509	0.464	0.000
H2	-1.943	-0.537	0.000
H3	-1.877	1.000	0.883
H4	-1.877	1.000	-0.883
C5	0.290	-2.086	0.000
H6	0.670	-2.614	-0.882
H7	0.670	-2.614	0.882
H8	-0.798	-2.168	0.000
C9	0.755	-0.656	0.000
H10	1.837	-0.527	0.000
C11	0.000	0.445	0.000
C12	0.627	1.821	0.000
H13	1.718	1.760	0.000
H14	0.309	2.387	0.884
H15	0.309	2.387	-0.884

	C1	H2	H3	H4	C5	H6	H7	H8	C9	H10	C11	C12	H13	H14	H15
C1		1.0906	1.0969	1.0969	3.1203	3.8732	3.8732	2.7263	2.5259	3.4889	1.5087	2.5298	3.4775	2.7900	2.7900
H2	1.0906		1.7733	1.7733	2.7176	3.4530	3.4530	1.9931	2.7008	3.7794	2.1768	3.4868	4.3218	3.7948	3.7948
H3	1.0969	1.7733		1.7666	3.8727	4.7612	4.4216	3.4612	3.2331	4.1114	2.1474	2.7791	3.7796	2.5893	3.1348
H4	1.0969	1.7733	1.7666		3.8727	4.4216	4.7612	3.4612	3.2331	4.1114	2.1474	2.7791	3.7796	3.1348	2.5893
C5	3.1203	2.7176	3.8727	3.8727		1.0966	1.0966	1.0912	1.5035	2.1960	2.5478	3.9209	4.1028	4.5598	4.5598
H6	3.8732	3.4530	4.7612	4.4216	1.0966		1.7648	1.7703	2.1495	2.5488	3.2542	4.5221	4.5842	5.3167	5.0148
H7	3.8732	3.4530	4.4216	4.7612	1.0966	1.7648		1.7703	2.1495	2.5488	3.2542	4.5221	4.5842	5.0148	5.3167
H8	2.7263	1.9931	3.4612	3.4612	1.0912	1.7703	1.7703		2.1678	3.1042	2.7327	4.2356	4.6653	4.7707	4.7707
C9	2.5259	2.7008	3.2331	3.2331	1.5035	2.1495	2.1495	2.1678		1.0889	1.3358	2.4801	2.6013	3.2006	3.2006
H10	3.4889	3.7794	4.1114	4.1114	2.1960	2.5488	2.5488	3.1042	1.0889		2.0782	2.6409	2.2903	3.4071	3.4071
C11	1.5087	2.1768	2.1474	2.1474	2.5478	3.2542	3.2542	2.7327	1.3358	2.0782		1.5112	2.1636	2.1559	2.1559
C12	2.5298	3.4868	2.7791	2.7791	3.9209	4.5221	4.5221	4.2356	2.4801	2.6409	1.5112		1.0932	1.0970	1.0970
H13	3.4775	4.3218	3.7796	3.7796	4.1028	4.5842	4.5842	4.6653	2.6013	2.2903	2.1636	1.0932		1.7778	1.7778
H14	2.7900	3.7948	2.5893	3.1348	4.5598	5.3167	5.0148	4.7707	3.2006	3.4071	2.1559	1.0970	1.7778		1.7674
H15	2.7900	3.7948	3.1348	2.5893	4.5598	5.0148	5.3167	4.7707	3.2006	3.4071	2.1559	1.0970	1.7778	1.7674

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C11	C9	125.142	C1	C11	C12	113.799
H2	C1	H3	108.324	H2	C1	H4	108.324
H2	C1	C11	112.756	H3	C1	H4	107.271
H3	C1	C11	109.997	H4	C1	C11	109.997
C5	C9	H10	114.852	C5	C9	C11	127.527
H6	C5	H7	107.158	H6	C5	H8	108.023
H6	C5	C9	110.544	H7	C5	H8	108.023
H7	C5	C9	110.544	H8	C5	C9	112.359
C9	C11	C12	121.059	H10	C9	C11	117.620
C11	C12	H13	111.342	C11	C12	H14	110.492
C11	C12	H15	110.492	H13	C12	H14	108.529
H13	C12	H15	108.529	H14	C12	H15	107.338

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

using model chemistry: B1B95/3-21G

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	-0.640
2	H	0.215
3	H	0.215
4	H	0.215
5	C	-0.656
6	H	0.217
7	H	0.217
8	H	0.213
9	C	-0.188
10	H	0.190
11	C	-0.007
12	C	-0.622
13	H	0.209
14	H	0.212
15	H	0.212

	x	y	z	Total
	-0.191	0.071	0.000	0.204
CHELPG
AIM
ESP

	x	y	z
x	7.697	-1.095	0.000
y	-1.095	9.765	0.000
z	0.000	0.000	5.244

<r²>	150.263
(<r²>)^1/2	12.258

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

using model chemistry: B1B95/3-21G

States and conformations

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