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	hartrees
Energy at 0K	-157.290006
Energy at 298.15K	-157.297916
HF Energy	-157.290006
Nuclear repulsion energy	119.884224

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3130	3026	9.29
2	A₁	3104	3000	19.55
3	A₁	3013	2913	41.35
4	A₁	1718	1661	20.77
5	A₁	1504	1454	13.33
6	A₁	1446	1398	1.06
7	A₁	1416	1369	0.38
8	A₁	1087	1050	3.09
9	A₁	815	788	0.19
10	A₁	381	369	0.32
11	A₂	3048	2947	0.00
12	A₂	1473	1423	0.00
13	A₂	1023	989	0.00
14	A₂	707	684	0.00
15	A₂	173	167	0.00
16	B₁	3051	2949	45.73
17	B₁	1490	1440	15.50
18	B₁	1109	1072	0.04
19	B₁	925	894	43.78
20	B₁	443	428	7.28
21	B₁	211	204	0.40
22	B₂	3208	3101	19.22
23	B₂	3102	2999	26.69
24	B₂	3008	2908	18.20
25	B₂	1485	1436	4.07
26	B₂	1411	1364	8.33
27	B₂	1297	1254	3.55
28	B₂	989	956	0.43
29	B₂	962	930	0.04
30	B₂	440	426	1.56

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.124
C2	0.000	0.000	1.454
H3	0.000	0.922	2.021
H4	0.000	-0.922	2.021
C5	0.000	1.273	-0.677
C6	0.000	-1.273	-0.677
H7	0.000	2.154	-0.037
H8	0.876	1.322	-1.329
H9	-0.876	1.322	-1.329
H10	0.000	-2.154	-0.037
H11	-0.876	-1.322	-1.329
H12	0.876	-1.322	-1.329

	C1	C2	H3	H4	C5	C6	H7	H8	H9	H10	H11	H12
C1		1.3302	2.1094	2.1094	1.5036	1.5036	2.1600	2.1515	2.1515	2.1600	2.1515	2.1515
C2	1.3302		1.0825	1.0825	2.4820	2.4820	2.6198	3.2040	3.2040	2.6198	3.2040	3.2040
H3	2.1094	1.0825		1.8442	2.7205	3.4778	2.3987	3.4864	3.4864	3.7011	4.1270	4.1270
H4	2.1094	1.0825	1.8442		3.4778	2.7205	3.7011	4.1270	4.1270	2.3987	3.4864	3.4864
C5	1.5036	2.4820	2.7205	3.4778		2.5454	1.0890	1.0938	1.0938	3.4859	2.8157	2.8157
C6	1.5036	2.4820	3.4778	2.7205	2.5454		3.4859	2.8157	2.8157	1.0890	1.0938	1.0938
H7	2.1600	2.6198	2.3987	3.7011	1.0890	3.4859		1.7692	1.7692	4.3080	3.8110	3.8110
H8	2.1515	3.2040	3.4864	4.1270	1.0938	2.8157	1.7692		1.7525	3.8110	3.1726	2.6447
H9	2.1515	3.2040	3.4864	4.1270	1.0938	2.8157	1.7692	1.7525		3.8110	2.6447	3.1726
H10	2.1600	2.6198	3.7011	2.3987	3.4859	1.0890	4.3080	3.8110	3.8110		1.7692	1.7692
H11	2.1515	3.2040	4.1270	3.4864	2.8157	1.0938	3.8110	3.1726	2.6447	1.7692		1.7525
H12	2.1515	3.2040	4.1270	3.4864	2.8157	1.0938	3.8110	2.6447	3.1726	1.7692	1.7525

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H3	121.586	C1	C2	H4	121.586
C1	C5	H7	111.851	C1	C5	H8	110.869
C1	C5	H9	110.869	C1	C6	H10	111.851
C1	C6	H11	110.869	C1	C6	H12	110.869
C2	C1	C5	122.175	C2	C1	C6	122.175
H3	C2	H4	116.828	C5	C1	C6	115.649
H7	C5	H8	108.292	H7	C5	H9	108.292
H8	C5	H9	106.468	H10	C6	H11	108.292
H10	C6	H12	108.292	H11	C6	H12	106.468

All results from a given calculation for CH₂C(CH₃)CH₃ (1-Propene, 2-methyl-)

using model chemistry: B3LYPultrafine/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	0.123
2	C	-0.330
3	H	0.102
4	H	0.102
5	C	-0.278
6	C	-0.278
7	H	0.094
8	H	0.093
9	H	0.093
10	H	0.094
11	H	0.093
12	H	0.093

	x	y	z
x	5.394	0.000	0.000
y	0.000	7.490	-0.003
z	0.000	-0.003	9.155

<r²>	90.823
(<r²>)^1/2	9.530

All results from a given calculation for CH2C(CH3)CH3 (1-Propene, 2-methyl-)

using model chemistry: B3LYPultrafine/cc-pVTZ

States and conformations

All results from a given calculation for CH₂C(CH₃)CH₃ (1-Propene, 2-methyl-)